2-[difluoro(methoxy)methoxy]ethyl carbazole-9-carboxylate;2-[difluoro(methoxy)methoxy]ethyl quinoline-6-carboxylate;(2,2-difluoro-3-methoxypropyl) naphthalene-1-carboxylate;[3,3-difluoro-3-(2,2,3,3,3-pentafluoropropoxy)propyl] naphthalene-1-carboxylate;fluoromethane;2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate;2-(1,1,2,2-tetrafluoropropoxy)ethyl quinoline-6-carboxylate

C97H86F22N4O20 — CID 159405336

IUPAC2-[difluoro(methoxy)methoxy]ethyl carbazole-9-carboxylate;2-[difluoro(methoxy)methoxy]ethyl quinoline-6-carboxylate;(2,2-difluoro-3-methoxypropyl) naphthalene-1-carboxylate;[3,3-difluoro-3-(2,2,3,3,3-pentafluoropropoxy)propyl] naphthalene-1-carboxylate;fluoromethane;2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate;2-(1,1,2,2-tetrafluoropropoxy)ethyl quinoline-6-carboxylate
SMILESCC(F)(F)C(F)(F)OCCOC(=O)c1ccc2ncccc2c1.CC(F)(F)C(F)(F)OCCOC(=O)n1c2ccccc2c2ccccc21.CF.COC(F)(F)OCCOC(=O)c1ccc2ncccc2c1.COC(F)(F)OCCOC(=O)n1c2ccccc2c2ccccc21.COCC(F)(F)COC(=O)c1cccc2ccccc12.O=C(OCCC(F)(F)OCC(F)(F)C(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C18H15F4NO3.C17H13F7O3.C17H15F2NO4.C15H13F4NO3.C15H14F2O3.C14H13F2NO4.CH3F/c1-17(19,20)18(21,22)26-11-10-25-16(24)23-14-8-4-2-6-12(14)13-7-3-5-9-15(13)23;18-15(19,17(22,23)24)10-27-16(20,21)8-9-26-14(25)13-7-3-5-11-4-1-2-6-12(11)13;1-22-17(18,19)24-11-10-23-16(21)20-14-8-4-2-6-12(14)13-7-3-5-9-15(13)20;1-14(16,17)15(18,19)23-8-7-22-13(21)11-4-5-12-10(9-11)3-2-6-20-12;1-19-9-15(16,17)10-20-14(18)13-8-4-6-11-5-2-3-7-12(11)13;1-19-14(15,16)21-8-7-20-13(18)11-4-5-12-10(9-11)3-2-6-17-12;1-2/h2-9H,10-11H2,1H3;1-7H,8-10H2;2-9H,10-11H2,1H3;2-6,9H,7-8H2,1H3;2-8H,9-10H2,1H3;2-6,9H,7-8H2,1H3;1H3
InChIKeyLNWPQKHIJBGYJH-UHFFFAOYSA-N
MW2045.72 g/mol
LogP24.36
Rot. Bonds34

About 2-[difluoro(methoxy)methoxy]ethyl carbazole-9-carboxylate;2-[difluoro(methoxy)methoxy]ethyl quinoline-6-carboxylate;(2,2-difluoro-3-methoxypropyl) naphthalene-1-carboxylate;[3,3-difluoro-3-(2,2,3,3,3-pentafluoropropoxy)propyl] naphthalene-1-carboxylate;fluoromethane;2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate;2-(1,1,2,2-tetrafluoropropoxy)ethyl quinoline-6-carboxylate

2-[difluoro(methoxy)methoxy]ethyl carbazole-9-carboxylate;2-[difluoro(methoxy)methoxy]ethyl quinoline-6-carboxylate;(2,2-difluoro-3-methoxypropyl) naphthalene-1-carboxylate;[3,3-difluoro-3-(2,2,3,3,3-pentafluoropropoxy)propyl] naphthalene-1-carboxylate;fluoromethane;2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate;2-(1,1,2,2-tetrafluoropropoxy)ethyl quinoline-6-carboxylate (PubChem CID 159405336) has the molecular formula C97H86F22N4O20 and a molecular weight of 2045.72 g/mol. Its IUPAC name is 2-[difluoro(methoxy)methoxy]ethyl carbazole-9-carboxylate;2-[difluoro(methoxy)methoxy]ethyl quinoline-6-carboxylate;(2,2-difluoro-3-methoxypropyl) naphthalene-1-carboxylate;[3,3-difluoro-3-(2,2,3,3,3-pentafluoropropoxy)propyl] naphthalene-1-carboxylate;fluoromethane;2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate;2-(1,1,2,2-tetrafluoropropoxy)ethyl quinoline-6-carboxylate.

Molecular Properties

Compound Name2-[difluoro(methoxy)methoxy]ethyl carbazole-9-carboxylate;2-[difluoro(methoxy)methoxy]ethyl quinoline-6-carboxylate;(2,2-difluoro-3-methoxypropyl) naphthalene-1-carboxylate;[3,3-difluoro-3-(2,2,3,3,3-pentafluoropropoxy)propyl] naphthalene-1-carboxylate;fluoromethane;2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate;2-(1,1,2,2-tetrafluoropropoxy)ethyl quinoline-6-carboxylate
PubChem CID159405336
Molecular FormulaC97H86F22N4O20
Molecular Weight2045.72 g/mol
Exact Mass2044.55
IUPAC Name2-[difluoro(methoxy)methoxy]ethyl carbazole-9-carboxylate;2-[difluoro(methoxy)methoxy]ethyl quinoline-6-carboxylate;(2,2-difluoro-3-methoxypropyl) naphthalene-1-carboxylate;[3,3-difluoro-3-(2,2,3,3,3-pentafluoropropoxy)propyl] naphthalene-1-carboxylate;fluoromethane;2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate;2-(1,1,2,2-tetrafluoropropoxy)ethyl quinoline-6-carboxylate
SMILESCC(F)(F)C(F)(F)OCCOC(=O)c1ccc2ncccc2c1.CC(F)(F)C(F)(F)OCCOC(=O)n1c2ccccc2c2ccccc21.CF.COC(F)(F)OCCOC(=O)c1ccc2ncccc2c1.COC(F)(F)OCCOC(=O)n1c2ccccc2c2ccccc21.COCC(F)(F)COC(=O)c1cccc2ccccc12.O=C(OCCC(F)(F)OCC(F)(F)C(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C18H15F4NO3.C17H13F7O3.C17H15F2NO4.C15H13F4NO3.C15H14F2O3.C14H13F2NO4.CH3F/c1-17(19,20)18(21,22)26-11-10-25-16(24)23-14-8-4-2-6-12(14)13-7-3-5-9-15(13)23;18-15(19,17(22,23)24)10-27-16(20,21)8-9-26-14(25)13-7-3-5-11-4-1-2-6-12(11)13;1-22-17(18,19)24-11-10-23-16(21)20-14-8-4-2-6-12(14)13-7-3-5-9-15(13)20;1-14(16,17)15(18,19)23-8-7-22-13(21)11-4-5-12-10(9-11)3-2-6-20-12;1-19-9-15(16,17)10-20-14(18)13-8-4-6-11-5-2-3-7-12(11)13;1-19-14(15,16)21-8-7-20-13(18)11-4-5-12-10(9-11)3-2-6-17-12;1-2/h2-9H,10-11H2,1H3;1-7H,8-10H2;2-9H,10-11H2,1H3;2-6,9H,7-8H2,1H3;2-8H,9-10H2,1H3;2-6,9H,7-8H2,1H3;1H3
InChIKeyLNWPQKHIJBGYJH-UHFFFAOYSA-N
XLogP24.36
TPSA267.28 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds34
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002045.72
LogP ≤ 524.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-[difluoro(methoxy)methoxy]ethyl carbazole-9-carboxylate;2-[difluoro(methoxy)methoxy]ethyl quinoline-6-carboxylate;(2,2-difluoro-3-methoxypropyl) naphthalene-1-carboxylate;[3,3-difluoro-3-(2,2,3,3,3-pentafluoropropoxy)propyl] naphthalene-1-carboxylate;fluoromethane;2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate;2-(1,1,2,2-tetrafluoropropoxy)ethyl quinoline-6-carboxylate with MolForge

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Related Compounds

4-[(1,2-Dimethylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one;dodecyl 4-[2,5-dimethyl-3-[(5-oxo-3-propan-2-yl-1,2-oxazol-4-ylidene)methyl]pyrrol-1-yl]benzoate;2-ethylhexyl 3-[3-[(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]indol-1-yl]propanoate;bis(4-[(1-methylindol-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one);4-[(2,2,4,7-tetramethyl-1-octyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(trifluoromethyl)-1,2-oxazol-5-one
CID 157225241
Carbazole-9-carbonyloxymethyl carbazole-9-carboxylate;2,2-difluorobutyl hypofluorite;1,1-difluoro-1-(1,1,2,2,3-pentafluoropropoxy)butane;tetrakis(1-[2-[difluoro(propoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]propane);(4-isocyanobenzoyl)oxymethyl 4-cyanobenzoate;methane;bis(naphthalene-1-carbonyloxymethyl naphthalene-1-carboxylate);quinoline-6-carbonyloxymethyl quinoline-6-carboxylate
CID 159154843
Benzyl 1-benzyl-3-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)indole-5-carboxylate;1,2-dibenzyl-3-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)indole-5-carboxylic acid
CID 157527000
Methyl 4-[4-methoxycarbonyl-2-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]benzoyl]-3-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]benzoate
CID 69916797
ethyl 2-[[5-[(Z)-2-(2-quinolin-2-ylphenyl)ethenyl]indol-1-yl]methyl]benzoate
CID 70102069
[3-[[4-[1-(2-Ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]benzoyl] 2-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]benzoate
CID 88101428
Ethyl 2-[[5-(2-phenyl-1-quinolin-2-ylethenyl)indol-1-yl]methyl]benzoate
CID 91140485
9-Tert-butylcarbazole;2-tert-butyl-1,3-dihydroisoindole;6-tert-butylisoquinoline;1-tert-butyl-3-phenylnaphthalene;4-tert-butyl-2-phenylquinoline;4-tert-butylquinoline;ethyl 2-tert-butylbenzoate
CID 160845682
2-[(1-Benzylindol-5-yl)methyl]-5-pyridin-3-ylbenzoic acid;methyl 2-[(1-benzylindol-5-yl)methyl]-5-pyridin-3-ylbenzoate
CID 161466478
Methyl 2-[acetyl(cyclopropylmethyl)amino]-5-[5-(5-fluoro-1,3-dihydroisoindole-2-carbonyl)-2-pyridinyl]benzoate;methyl 2-[acetyl(2,2-difluoroethyl)amino]-5-[5-(5-fluoro-1,3-dihydroisoindole-2-carbonyl)-2-pyridinyl]benzoate
CID 166131162
Benzyl 14,17-dimethyl-1-aza-14-azoniaheptacyclo[13.10.2.02,7.08,26.011,27.016,25.018,23]heptacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaene-10-carboxylate
CID 170234201
1-O-tert-butyl 5-O-ethyl 3-[[5-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]indole-1,5-dicarboxylate
CID 16749307

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(methoxy)methoxy]ethyl carbazole-9-carboxylate;2-[difluoro(methoxy)methoxy]ethyl quinoline-6-carboxylate;(2,2-difluoro-3-methoxypropyl) naphthalene-1-carboxylate;[3,3-difluoro-3-(2,2,3,3,3-pentafluoropropoxy)propyl] naphthalene-1-carboxylate;fluoromethane;2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate;2-(1,1,2,2-tetrafluoropropoxy)ethyl quinoline-6-carboxylate?
The IUPAC name of 2-[difluoro(methoxy)methoxy]ethyl carbazole-9-carboxylate;2-[difluoro(methoxy)methoxy]ethyl quinoline-6-carboxylate;(2,2-difluoro-3-methoxypropyl) naphthalene-1-carboxylate;[3,3-difluoro-3-(2,2,3,3,3-pentafluoropropoxy)propyl] naphthalene-1-carboxylate;fluoromethane;2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate;2-(1,1,2,2-tetrafluoropropoxy)ethyl quinoline-6-carboxylate (CID 159405336) is 2-[difluoro(methoxy)methoxy]ethyl carbazole-9-carboxylate;2-[difluoro(methoxy)methoxy]ethyl quinoline-6-carboxylate;(2,2-difluoro-3-methoxypropyl) naphthalene-1-carboxylate;[3,3-difluoro-3-(2,2,3,3,3-pentafluoropropoxy)propyl] naphthalene-1-carboxylate;fluoromethane;2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate;2-(1,1,2,2-tetrafluoropropoxy)ethyl quinoline-6-carboxylate.
What is the SMILES notation for 2-[difluoro(methoxy)methoxy]ethyl carbazole-9-carboxylate;2-[difluoro(methoxy)methoxy]ethyl quinoline-6-carboxylate;(2,2-difluoro-3-methoxypropyl) naphthalene-1-carboxylate;[3,3-difluoro-3-(2,2,3,3,3-pentafluoropropoxy)propyl] naphthalene-1-carboxylate;fluoromethane;2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate;2-(1,1,2,2-tetrafluoropropoxy)ethyl quinoline-6-carboxylate?
The canonical SMILES for 2-[difluoro(methoxy)methoxy]ethyl carbazole-9-carboxylate;2-[difluoro(methoxy)methoxy]ethyl quinoline-6-carboxylate;(2,2-difluoro-3-methoxypropyl) naphthalene-1-carboxylate;[3,3-difluoro-3-(2,2,3,3,3-pentafluoropropoxy)propyl] naphthalene-1-carboxylate;fluoromethane;2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate;2-(1,1,2,2-tetrafluoropropoxy)ethyl quinoline-6-carboxylate is CC(F)(F)C(F)(F)OCCOC(=O)c1ccc2ncccc2c1.CC(F)(F)C(F)(F)OCCOC(=O)n1c2ccccc2c2ccccc21.CF.COC(F)(F)OCCOC(=O)c1ccc2ncccc2c1.COC(F)(F)OCCOC(=O)n1c2ccccc2c2ccccc21.COCC(F)(F)COC(=O)c1cccc2ccccc12.O=C(OCCC(F)(F)OCC(F)(F)C(F)(F)F)c1cccc2ccccc12.
What is the InChIKey of 2-[difluoro(methoxy)methoxy]ethyl carbazole-9-carboxylate;2-[difluoro(methoxy)methoxy]ethyl quinoline-6-carboxylate;(2,2-difluoro-3-methoxypropyl) naphthalene-1-carboxylate;[3,3-difluoro-3-(2,2,3,3,3-pentafluoropropoxy)propyl] naphthalene-1-carboxylate;fluoromethane;2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate;2-(1,1,2,2-tetrafluoropropoxy)ethyl quinoline-6-carboxylate?
The InChIKey is LNWPQKHIJBGYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4NO3.C17H13F7O3.C17H15F2NO4.C15H13F4NO3.C15H14F2O3.C14H13F2NO4.CH3F/c1-17(19,20)18(21,22)26-11-10-25-16(24)23-14-8-4-2-6-12(14)13-7-3-5-9-15(13)23;18-15(19,17(22,23)24)10-27-16(20,21)8-9-26-14(25)13-7-3-5-11-4-1-2-6-12(11)13;1-22-17(18,19)24-11-10-23-16(21)20-14-8-4-2-6-12(14)13-7-3-5-9-15(13)20;1-14(16,17)15(18,19)23-8-7-22-13(21)11-4-5-12-10(9-11)3-2-6-20-12;1-19-9-15(16,17)10-20-14(18)13-8-4-6-11-5-2-3-7-12(11)13;1-19-14(15,16)21-8-7-20-13(18)11-4-5-12-10(9-11)3-2-6-17-12;1-2/h2-9H,10-11H2,1H3;1-7H,8-10H2;2-9H,10-11H2,1H3;2-6,9H,7-8H2,1H3;2-8H,9-10H2,1H3;2-6,9H,7-8H2,1H3;1H3.
What are the key properties of 2-[difluoro(methoxy)methoxy]ethyl carbazole-9-carboxylate;2-[difluoro(methoxy)methoxy]ethyl quinoline-6-carboxylate;(2,2-difluoro-3-methoxypropyl) naphthalene-1-carboxylate;[3,3-difluoro-3-(2,2,3,3,3-pentafluoropropoxy)propyl] naphthalene-1-carboxylate;fluoromethane;2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate;2-(1,1,2,2-tetrafluoropropoxy)ethyl quinoline-6-carboxylate?
2-[difluoro(methoxy)methoxy]ethyl carbazole-9-carboxylate;2-[difluoro(methoxy)methoxy]ethyl quinoline-6-carboxylate;(2,2-difluoro-3-methoxypropyl) naphthalene-1-carboxylate;[3,3-difluoro-3-(2,2,3,3,3-pentafluoropropoxy)propyl] naphthalene-1-carboxylate;fluoromethane;2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate;2-(1,1,2,2-tetrafluoropropoxy)ethyl quinoline-6-carboxylate has a molecular weight of 2045.72 g/mol, XLogP of 24.36, 34 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(methoxy)methoxy]ethyl carbazole-9-carboxylate;2-[difluoro(methoxy)methoxy]ethyl quinoline-6-carboxylate;(2,2-difluoro-3-methoxypropyl) naphthalene-1-carboxylate;[3,3-difluoro-3-(2,2,3,3,3-pentafluoropropoxy)propyl] naphthalene-1-carboxylate;fluoromethane;2-(1,1,2,2-tetrafluoropropoxy)ethyl carbazole-9-carboxylate;2-(1,1,2,2-tetrafluoropropoxy)ethyl quinoline-6-carboxylate is sourced from PubChem (CID 159405336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).