2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-1,4-dihydronaphthalene

C25H27F3 — CID 139960874

IUPAC2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-1,4-dihydronaphthalene
SMILESCCCC1CCC(c2ccc(C3=CCc4c(F)cccc4C3)c(F)c2F)CC1
InChIInChI=1S/C25H27F3/c1-2-4-16-7-9-17(10-8-16)21-13-14-22(25(28)24(21)27)19-11-12-20-18(15-19)5-3-6-23(20)26/h3,5-6,11,13-14,16-17H,2,4,7-10,12,15H2,1H3
InChIKeyQQLYNXKJTBEOEZ-UHFFFAOYSA-N
MW384.49 g/mol
LogP7.36
Rot. Bonds4

About 2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-1,4-dihydronaphthalene

2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-1,4-dihydronaphthalene (PubChem CID 139960874) has the molecular formula C25H27F3 and a molecular weight of 384.49 g/mol. Its IUPAC name is 2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-1,4-dihydronaphthalene
PubChem CID139960874
Molecular FormulaC25H27F3
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-1,4-dihydronaphthalene
SMILESCCCC1CCC(c2ccc(C3=CCc4c(F)cccc4C3)c(F)c2F)CC1
InChIInChI=1S/C25H27F3/c1-2-4-16-7-9-17(10-8-16)21-13-14-22(25(28)24(21)27)19-11-12-20-18(15-19)5-3-6-23(20)26/h3,5-6,11,13-14,16-17H,2,4,7-10,12,15H2,1H3
InChIKeyQQLYNXKJTBEOEZ-UHFFFAOYSA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.49
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-(4-butylcyclohexyl)-2,3-difluorophenyl]-5-fluoro-1,4-dihydronaphthalene
CID 139960832
2,3-difluoro-1-(4-propylcyclohexyl)-4-(3,4,5-trifluorophenyl)benzene
CID 118593448
2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
CID 118593483
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730623
2-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-2,3-difluorophenyl]-5-propyloxane
CID 58535326
2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065276
5-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene
CID 139960788
5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139948703
5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139949006
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
CID 19103623
1-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
CID 142331621

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-1,4-dihydronaphthalene?
The IUPAC name of 2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-1,4-dihydronaphthalene (CID 139960874) is 2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-1,4-dihydronaphthalene.
What is the SMILES notation for 2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-1,4-dihydronaphthalene?
The canonical SMILES for 2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-1,4-dihydronaphthalene is CCCC1CCC(c2ccc(C3=CCc4c(F)cccc4C3)c(F)c2F)CC1.
What is the InChIKey of 2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-1,4-dihydronaphthalene?
The InChIKey is QQLYNXKJTBEOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3/c1-2-4-16-7-9-17(10-8-16)21-13-14-22(25(28)24(21)27)19-11-12-20-18(15-19)5-3-6-23(20)26/h3,5-6,11,13-14,16-17H,2,4,7-10,12,15H2,1H3.
What are the key properties of 2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-1,4-dihydronaphthalene?
2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-1,4-dihydronaphthalene has a molecular weight of 384.49 g/mol, XLogP of 7.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-1,4-dihydronaphthalene is sourced from PubChem (CID 139960874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).