2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene

C23H21F3 — CID 71106738

IUPAC2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene
SMILESCC1CCC(c2ccc3c(F)c(-c4ccc(F)c(F)c4)ccc3c2)CC1
InChIInChI=1S/C23H21F3/c1-14-2-4-15(5-3-14)16-6-9-19-17(12-16)7-10-20(23(19)26)18-8-11-21(24)22(25)13-18/h6-15H,2-5H2,1H3
InChIKeyQCUDCTDEPCODAE-UHFFFAOYSA-N
MW354.42 g/mol
LogP7.22
Rot. Bonds2

About 2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene

2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene (PubChem CID 71106738) has the molecular formula C23H21F3 and a molecular weight of 354.42 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene
PubChem CID71106738
Molecular FormulaC23H21F3
Molecular Weight354.42 g/mol
Exact Mass354.16
IUPAC Name2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene
SMILESCC1CCC(c2ccc3c(F)c(-c4ccc(F)c(F)c4)ccc3c2)CC1
InChIInChI=1S/C23H21F3/c1-14-2-4-15(5-3-14)16-6-9-19-17(12-16)7-10-20(23(19)26)18-8-11-21(24)22(25)13-18/h6-15H,2-5H2,1H3
InChIKeyQCUDCTDEPCODAE-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.42
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene
CID 122609106
1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 159316188
4-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]-2-fluorobenzonitrile
CID 139823028
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833
1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144841355
2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline
CID 142540997
1-(4-tert-butylphenyl)-2,3-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene
CID 91439286
2,3-difluoro-1,4-bis(4-methylphenyl)benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-(4-methylphenyl)benzene;bis(2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylphenyl)phenyl]benzene);2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 158478579
1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene
CID 155471466
6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol
CID 139850003
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 157263040
2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene
CID 129171181

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene?
The IUPAC name of 2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene (CID 71106738) is 2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene is CC1CCC(c2ccc3c(F)c(-c4ccc(F)c(F)c4)ccc3c2)CC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene?
The InChIKey is QCUDCTDEPCODAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3/c1-14-2-4-15(5-3-14)16-6-9-19-17(12-16)7-10-20(23(19)26)18-8-11-21(24)22(25)13-18/h6-15H,2-5H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene?
2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene has a molecular weight of 354.42 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene is sourced from PubChem (CID 71106738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).