2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile

C28H28F3N — CID 139871120

IUPAC2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile
SMILESCCCC1CCC(c2ccc3c(F)c(CCc4cc(F)c(C#N)c(F)c4)ccc3c2)CC1
InChIInChI=1S/C28H28F3N/c1-2-3-18-4-7-20(8-5-18)22-12-13-24-23(16-22)11-10-21(28(24)31)9-6-19-14-26(29)25(17-32)27(30)15-19/h10-16,18,20H,2-9H2,1H3
InChIKeyGFRMKAFCZGZJII-UHFFFAOYSA-N
MW435.53 g/mol
LogP7.99
Rot. Bonds6

About 2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile

2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile (PubChem CID 139871120) has the molecular formula C28H28F3N and a molecular weight of 435.53 g/mol. Its IUPAC name is 2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile.

Molecular Properties

Compound Name2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile
PubChem CID139871120
Molecular FormulaC28H28F3N
Molecular Weight435.53 g/mol
Exact Mass435.22
IUPAC Name2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile
SMILESCCCC1CCC(c2ccc3c(F)c(CCc4cc(F)c(C#N)c(F)c4)ccc3c2)CC1
InChIInChI=1S/C28H28F3N/c1-2-3-18-4-7-20(8-5-18)22-12-13-24-23(16-22)11-10-21(28(24)31)9-6-19-14-26(29)25(17-32)27(30)15-19/h10-16,18,20H,2-9H2,1H3
InChIKeyGFRMKAFCZGZJII-UHFFFAOYSA-N
XLogP7.99
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile 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-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene
CID 139873665
2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoro-6-(4-heptylcyclohexyl)naphthalene
CID 139873201
6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene
CID 139864046
2-[2-(3,4-difluorophenyl)ethyl]-1-fluoro-6-[4-(methoxymethyl)cyclohexyl]naphthalene
CID 139874229
4-[2-[6-[2-(2,6-difluoro-4-propylphenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2,6-difluorobenzonitrile
CID 139871184
2,6-difluoro-4-[2-[1-fluoro-6-[2-(4-pentylphenyl)ethyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139874017
6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139874807
2,6-difluoro-4-[2-[1-fluoro-6-[2-(2-fluoro-4-pentylphenyl)ethyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139871188
4-[2-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]ethynyl]-2,6-difluorobenzonitrile
CID 139850984
2,6-difluoro-4-[2-[1-fluoro-6-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139871664
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
CID 139871845
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-pentylcyclohexyl)naphthalene
CID 139870936

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile?
The IUPAC name of 2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile (CID 139871120) is 2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile.
What is the SMILES notation for 2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile?
The canonical SMILES for 2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile is CCCC1CCC(c2ccc3c(F)c(CCc4cc(F)c(C#N)c(F)c4)ccc3c2)CC1.
What is the InChIKey of 2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile?
The InChIKey is GFRMKAFCZGZJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N/c1-2-3-18-4-7-20(8-5-18)22-12-13-24-23(16-22)11-10-21(28(24)31)9-6-19-14-26(29)25(17-32)27(30)15-19/h10-16,18,20H,2-9H2,1H3.
What are the key properties of 2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile?
2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile has a molecular weight of 435.53 g/mol, XLogP of 7.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile is sourced from PubChem (CID 139871120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).