2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl 2-methyl-4-prop-2-enoyloxybutanoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl prop-2-enoate

C74H60F21N3O11 — CID 160564456

IUPAC2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl 2-methyl-4-prop-2-enoyloxybutanoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1c2ccccc2-c2cc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)ccc21.C=CC(=O)OCCC(C)C(=O)OCC1c2ccccc2-c2cc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)ccc21.C=CC(=O)OCCOC(=O)OCC1c2ccccc2-c2cc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)ccc21
InChIInChI=1S/C27H24F7NO4.C25H20F7NO5.C22H16F7NO2/c1-4-22(36)38-12-11-15(2)24(37)39-14-21-18-8-6-5-7-17(18)20-13-16(9-10-19(20)21)23(35-3)25(28,29)26(30,31)27(32,33)34;1-3-20(34)36-10-11-37-22(35)38-13-19-16-7-5-4-6-15(16)18-12-14(8-9-17(18)19)21(33-2)23(26,27)24(28,29)25(30,31)32;1-3-18(31)32-11-17-14-7-5-4-6-13(14)16-10-12(8-9-15(16)17)19(30-2)20(23,24)21(25,26)22(27,28)29/h4-10,13,15,21H,1,11-12,14H2,2-3H3;3-9,12,19H,1,10-11,13H2,2H3;3-10,17H,1,11H2,2H3/b35-23+;33-21+;30-19+
InChIKeyQZSWIKNQAWAJTM-NNAQZEHDSA-N
MW1566.26 g/mol
LogP18.06
Rot. Bonds25

About 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl 2-methyl-4-prop-2-enoyloxybutanoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl prop-2-enoate

2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl 2-methyl-4-prop-2-enoyloxybutanoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl prop-2-enoate (PubChem CID 160564456) has the molecular formula C74H60F21N3O11 and a molecular weight of 1566.26 g/mol. Its IUPAC name is 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl 2-methyl-4-prop-2-enoyloxybutanoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl prop-2-enoate.

Molecular Properties

Compound Name2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl 2-methyl-4-prop-2-enoyloxybutanoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl prop-2-enoate
PubChem CID160564456
Molecular FormulaC74H60F21N3O11
Molecular Weight1566.26 g/mol
Exact Mass1565.39
IUPAC Name2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl 2-methyl-4-prop-2-enoyloxybutanoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl prop-2-enoate
SMILESC=CC(=O)OCC1c2ccccc2-c2cc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)ccc21.C=CC(=O)OCCC(C)C(=O)OCC1c2ccccc2-c2cc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)ccc21.C=CC(=O)OCCOC(=O)OCC1c2ccccc2-c2cc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)ccc21
InChIInChI=1S/C27H24F7NO4.C25H20F7NO5.C22H16F7NO2/c1-4-22(36)38-12-11-15(2)24(37)39-14-21-18-8-6-5-7-17(18)20-13-16(9-10-19(20)21)23(35-3)25(28,29)26(30,31)27(32,33)34;1-3-20(34)36-10-11-37-22(35)38-13-19-16-7-5-4-6-15(16)18-12-14(8-9-17(18)19)21(33-2)23(26,27)24(28,29)25(30,31)32;1-3-18(31)32-11-17-14-7-5-4-6-13(14)16-10-12(8-9-15(16)17)19(30-2)20(23,24)21(25,26)22(27,28)29/h4-10,13,15,21H,1,11-12,14H2,2-3H3;3-9,12,19H,1,10-11,13H2,2H3;3-10,17H,1,11H2,2H3/b35-23+;33-21+;30-19+
InChIKeyQZSWIKNQAWAJTM-NNAQZEHDSA-N
XLogP18.06
TPSA177.81 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001566.26
LogP ≤ 518.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl 2-methyl-4-prop-2-enoyloxybutanoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl prop-2-enoate with MolForge

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Related Compounds

2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;bis([3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxymethyl prop-2-enoate);[2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxy]-2-oxoethyl] prop-2-enoate;methane
CID 157489413
[4-[4-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]phenyl]phenyl]methyl prop-2-enoate
CID 88575289
9H-fluoren-9-ylmethyl 2-hydroxyethyl carbonate
CID 174872937
butyl 9H-fluoren-9-ylmethyl carbonate
CID 114289496
9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate
CID 4038449
(9H-fluoren-9-ylmethoxycarbonylamino)methyl prop-2-enoate
CID 169286639
4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate
CID 6612799
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecanoic acid
CID 164740980
methyl (2S)-2-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonyloxy)-3-methylbutanoyl]oxy-3-methylbutanoate
CID 10527705
cyclopentyl [4-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]phenyl] carbonate
CID 88575293
2,2-diamino-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid
CID 69036626
(2R)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-propan-2-ylbutanoic acid
CID 159963663

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl 2-methyl-4-prop-2-enoyloxybutanoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl prop-2-enoate?
The IUPAC name of 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl 2-methyl-4-prop-2-enoyloxybutanoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl prop-2-enoate (CID 160564456) is 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl 2-methyl-4-prop-2-enoyloxybutanoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl prop-2-enoate.
What is the SMILES notation for 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl 2-methyl-4-prop-2-enoyloxybutanoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl prop-2-enoate?
The canonical SMILES for 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl 2-methyl-4-prop-2-enoyloxybutanoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl prop-2-enoate is C=CC(=O)OCC1c2ccccc2-c2cc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)ccc21.C=CC(=O)OCCC(C)C(=O)OCC1c2ccccc2-c2cc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)ccc21.C=CC(=O)OCCOC(=O)OCC1c2ccccc2-c2cc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)ccc21.
What is the InChIKey of 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl 2-methyl-4-prop-2-enoyloxybutanoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl prop-2-enoate?
The InChIKey is QZSWIKNQAWAJTM-NNAQZEHDSA-N. The full InChI is InChI=1S/C27H24F7NO4.C25H20F7NO5.C22H16F7NO2/c1-4-22(36)38-12-11-15(2)24(37)39-14-21-18-8-6-5-7-17(18)20-13-16(9-10-19(20)21)23(35-3)25(28,29)26(30,31)27(32,33)34;1-3-20(34)36-10-11-37-22(35)38-13-19-16-7-5-4-6-15(16)18-12-14(8-9-17(18)19)21(33-2)23(26,27)24(28,29)25(30,31)32;1-3-18(31)32-11-17-14-7-5-4-6-13(14)16-10-12(8-9-15(16)17)19(30-2)20(23,24)21(25,26)22(27,28)29/h4-10,13,15,21H,1,11-12,14H2,2-3H3;3-9,12,19H,1,10-11,13H2,2H3;3-10,17H,1,11H2,2H3/b35-23+;33-21+;30-19+.
What are the key properties of 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl 2-methyl-4-prop-2-enoyloxybutanoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl prop-2-enoate?
2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl 2-methyl-4-prop-2-enoyloxybutanoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl prop-2-enoate has a molecular weight of 1566.26 g/mol, XLogP of 18.06, 25 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methoxycarbonyloxy]ethyl prop-2-enoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl 2-methyl-4-prop-2-enoyloxybutanoate;[3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]-9H-fluoren-9-yl]methyl prop-2-enoate is sourced from PubChem (CID 160564456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).