3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline

C120H140F19N11O8 — CID 160651817

IUPAC3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline
SMILESCC(C)(C)C(F)(F)OCc1cc(C(F)(F)F)nc2ccccc12.CC(C)(C)C(F)(F)OCc1ccc2nccnc2c1.CC(C)(C)C(F)(F)OCc1cccc2ncccc12.CC(C)(C)C(F)(F)OCc1ccnc2ccccc12.CC(OC(F)(F)C(C)(C)C)c1cnc2ccccc2c1.Cc1cc(COC(F)(F)C(C)(C)C)c2ccccc2n1.Cn1c(COC(F)(F)C(C)(C)C)nc2ccccc21.Cn1nc(COC(F)(F)C(C)(C)C)c2ccccc21
InChIInChI=1S/C16H16F5NO.2C16H19F2NO.2C15H17F2NO.2C14H18F2N2O.C14H16F2N2O/c1-14(2,3)16(20,21)23-9-10-8-13(15(17,18)19)22-12-7-5-4-6-11(10)12;1-11(20-16(17,18)15(2,3)4)13-9-12-7-5-6-8-14(12)19-10-13;1-11-9-12(10-20-16(17,18)15(2,3)4)13-7-5-6-8-14(13)19-11;1-14(2,3)15(16,17)19-10-11-6-4-8-13-12(11)7-5-9-18-13;1-14(2,3)15(16,17)19-10-11-8-9-18-13-7-5-4-6-12(11)13;1-13(2,3)14(15,16)19-9-11-10-7-5-6-8-12(10)18(4)17-11;1-13(2,3)14(15,16)19-9-12-17-10-7-5-6-8-11(10)18(12)4;1-13(2,3)14(15,16)19-9-10-4-5-11-12(8-10)18-7-6-17-11/h4-8H,9H2,1-3H3;5-11H,1-4H3;5-9H,10H2,1-4H3;2*4-9H,10H2,1-3H3;2*5-8H,9H2,1-4H3;4-8H,9H2,1-3H3
InChIKeyRKNHJMGJDBUCHB-UHFFFAOYSA-N
MW2225.47 g/mol
LogP35.08
Rot. Bonds24

About 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline

3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline (PubChem CID 160651817) has the molecular formula C120H140F19N11O8 and a molecular weight of 2225.47 g/mol. Its IUPAC name is 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline
PubChem CID160651817
Molecular FormulaC120H140F19N11O8
Molecular Weight2225.47 g/mol
Exact Mass2224.06
IUPAC Name3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline
SMILESCC(C)(C)C(F)(F)OCc1cc(C(F)(F)F)nc2ccccc12.CC(C)(C)C(F)(F)OCc1ccc2nccnc2c1.CC(C)(C)C(F)(F)OCc1cccc2ncccc12.CC(C)(C)C(F)(F)OCc1ccnc2ccccc12.CC(OC(F)(F)C(C)(C)C)c1cnc2ccccc2c1.Cc1cc(COC(F)(F)C(C)(C)C)c2ccccc2n1.Cn1c(COC(F)(F)C(C)(C)C)nc2ccccc21.Cn1nc(COC(F)(F)C(C)(C)C)c2ccccc21
InChIInChI=1S/C16H16F5NO.2C16H19F2NO.2C15H17F2NO.2C14H18F2N2O.C14H16F2N2O/c1-14(2,3)16(20,21)23-9-10-8-13(15(17,18)19)22-12-7-5-4-6-11(10)12;1-11(20-16(17,18)15(2,3)4)13-9-12-7-5-6-8-14(12)19-10-13;1-11-9-12(10-20-16(17,18)15(2,3)4)13-7-5-6-8-14(13)19-11;1-14(2,3)15(16,17)19-10-11-6-4-8-13-12(11)7-5-9-18-13;1-14(2,3)15(16,17)19-10-11-8-9-18-13-7-5-4-6-12(11)13;1-13(2,3)14(15,16)19-9-11-10-7-5-6-8-12(10)18(4)17-11;1-13(2,3)14(15,16)19-9-12-17-10-7-5-6-8-11(10)18(12)4;1-13(2,3)14(15,16)19-9-10-4-5-11-12(8-10)18-7-6-17-11/h4-8H,9H2,1-3H3;5-11H,1-4H3;5-9H,10H2,1-4H3;2*4-9H,10H2,1-3H3;2*5-8H,9H2,1-4H3;4-8H,9H2,1-3H3
InChIKeyRKNHJMGJDBUCHB-UHFFFAOYSA-N
XLogP35.08
TPSA199.71 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds24
Heavy Atoms158
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002225.47
LogP ≤ 535.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline?
The IUPAC name of 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline (CID 160651817) is 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline?
The canonical SMILES for 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline is CC(C)(C)C(F)(F)OCc1cc(C(F)(F)F)nc2ccccc12.CC(C)(C)C(F)(F)OCc1ccc2nccnc2c1.CC(C)(C)C(F)(F)OCc1cccc2ncccc12.CC(C)(C)C(F)(F)OCc1ccnc2ccccc12.CC(OC(F)(F)C(C)(C)C)c1cnc2ccccc2c1.Cc1cc(COC(F)(F)C(C)(C)C)c2ccccc2n1.Cn1c(COC(F)(F)C(C)(C)C)nc2ccccc21.Cn1nc(COC(F)(F)C(C)(C)C)c2ccccc21.
What is the InChIKey of 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline?
The InChIKey is RKNHJMGJDBUCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F5NO.2C16H19F2NO.2C15H17F2NO.2C14H18F2N2O.C14H16F2N2O/c1-14(2,3)16(20,21)23-9-10-8-13(15(17,18)19)22-12-7-5-4-6-11(10)12;1-11(20-16(17,18)15(2,3)4)13-9-12-7-5-6-8-14(12)19-10-13;1-11-9-12(10-20-16(17,18)15(2,3)4)13-7-5-6-8-14(13)19-11;1-14(2,3)15(16,17)19-10-11-6-4-8-13-12(11)7-5-9-18-13;1-14(2,3)15(16,17)19-10-11-8-9-18-13-7-5-4-6-12(11)13;1-13(2,3)14(15,16)19-9-11-10-7-5-6-8-12(10)18(4)17-11;1-13(2,3)14(15,16)19-9-12-17-10-7-5-6-8-11(10)18(12)4;1-13(2,3)14(15,16)19-9-10-4-5-11-12(8-10)18-7-6-17-11/h4-8H,9H2,1-3H3;5-11H,1-4H3;5-9H,10H2,1-4H3;2*4-9H,10H2,1-3H3;2*5-8H,9H2,1-4H3;4-8H,9H2,1-3H3.
What are the key properties of 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline?
3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline has a molecular weight of 2225.47 g/mol, XLogP of 35.08, 24 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 160651817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).