1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene

C23H21F3 — CID 122609106

IUPAC1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene
SMILESCC1CCC(c2ccc(-c3ccc4c(F)c(F)ccc4c3)c(F)c2)CC1
InChIInChI=1S/C23H21F3/c1-14-2-4-15(5-3-14)16-6-9-19(22(25)13-16)17-7-10-20-18(12-17)8-11-21(24)23(20)26/h6-15H,2-5H2,1H3
InChIKeyKCRYPMOPLPFLTR-UHFFFAOYSA-N
MW354.42 g/mol
LogP7.22
Rot. Bonds2

About 1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene

1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene (PubChem CID 122609106) has the molecular formula C23H21F3 and a molecular weight of 354.42 g/mol. Its IUPAC name is 1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene.

Molecular Properties

Compound Name1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene
PubChem CID122609106
Molecular FormulaC23H21F3
Molecular Weight354.42 g/mol
Exact Mass354.16
IUPAC Name1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene
SMILESCC1CCC(c2ccc(-c3ccc4c(F)c(F)ccc4c3)c(F)c2)CC1
InChIInChI=1S/C23H21F3/c1-14-2-4-15(5-3-14)16-6-9-19(22(25)13-16)17-7-10-20-18(12-17)8-11-21(24)23(20)26/h6-15H,2-5H2,1H3
InChIKeyKCRYPMOPLPFLTR-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

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Related Compounds

2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene
CID 71106738
1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 159316188
2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline
CID 142540997
6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1-fluoronaphthalen-2-ol
CID 139850003
2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylphenyl)phenyl]benzene;methane;molecular hydrogen
CID 161261914
1-(4-tert-butylphenyl)-2,3-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene
CID 91439286
6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1,2,3-trifluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalene
CID 160628288
2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen
CID 157087004
2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene
CID 139856385
6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene
CID 139847195
1-[(Z)-but-2-enyl]-2,3-difluoro-4-[4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene
CID 143772631
1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene
CID 139846714

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene?
The IUPAC name of 1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene (CID 122609106) is 1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene.
What is the SMILES notation for 1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene?
The canonical SMILES for 1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene is CC1CCC(c2ccc(-c3ccc4c(F)c(F)ccc4c3)c(F)c2)CC1.
What is the InChIKey of 1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene?
The InChIKey is KCRYPMOPLPFLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3/c1-14-2-4-15(5-3-14)16-6-9-19(22(25)13-16)17-7-10-20-18(12-17)8-11-21(24)23(20)26/h6-15H,2-5H2,1H3.
What are the key properties of 1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene?
1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]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 1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene is sourced from PubChem (CID 122609106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).