4-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]-2-fluorobenzonitrile

C25H23F2N — CID 139823028

IUPAC4-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]-2-fluorobenzonitrile
SMILESCCC1CCC(c2ccc3c(F)c(-c4ccc(C#N)c(F)c4)ccc3c2)CC1
InChIInChI=1S/C25H23F2N/c1-2-16-3-5-17(6-4-16)18-9-11-22-19(13-18)10-12-23(25(22)27)20-7-8-21(15-28)24(26)14-20/h7-14,16-17H,2-6H2,1H3
InChIKeyFWRRMTSSHDUHAU-UHFFFAOYSA-N
MW375.46 g/mol
LogP7.34
Rot. Bonds3

About 4-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]-2-fluorobenzonitrile

4-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]-2-fluorobenzonitrile (PubChem CID 139823028) has the molecular formula C25H23F2N and a molecular weight of 375.46 g/mol. Its IUPAC name is 4-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]-2-fluorobenzonitrile
PubChem CID139823028
Molecular FormulaC25H23F2N
Molecular Weight375.46 g/mol
Exact Mass375.18
IUPAC Name4-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]-2-fluorobenzonitrile
SMILESCCC1CCC(c2ccc3c(F)c(-c4ccc(C#N)c(F)c4)ccc3c2)CC1
InChIInChI=1S/C25H23F2N/c1-2-16-3-5-17(6-4-16)18-9-11-22-19(13-18)10-12-23(25(22)27)20-7-8-21(15-28)24(26)14-20/h7-14,16-17H,2-6H2,1H3
InChIKeyFWRRMTSSHDUHAU-UHFFFAOYSA-N
XLogP7.34
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.46
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]-2-fluorobenzonitrile 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

4-[2-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]ethynyl]-2,6-difluorobenzonitrile
CID 139850984
2-fluoro-4-[6-(4-propylcyclohexyl)naphthalen-2-yl]benzonitrile
CID 20603170
4-[5-(4-ethylcyclohexyl)-2-pyridinyl]-2-fluorobenzonitrile
CID 139818205
2-fluoro-4-(1-fluoro-6-propylnaphthalen-2-yl)benzonitrile
CID 58839975
2-[2-(4-chloro-3-fluorophenyl)ethynyl]-6-(4-ethylcyclohexyl)-1-fluoronaphthalene
CID 139851363
2-(3,4-difluorophenyl)-1-fluoro-6-(4-methylcyclohexyl)naphthalene
CID 71106738
4-[2-[6-(4-but-3-enylcyclohexyl)-1-fluoronaphthalen-2-yl]ethynyl]-2-fluorobenzonitrile
CID 139851298
6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene
CID 139864046
6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethynyl]naphthalene
CID 139851303
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethynyl]-6-(4-ethylcyclohexyl)-1-fluoronaphthalene
CID 139851428
2-[2-(4-chloro-3,5-difluorophenyl)ethynyl]-1-fluoro-6-(4-propylcyclohexyl)naphthalene
CID 139851021
5-[4-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 88998813

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]-2-fluorobenzonitrile?
The IUPAC name of 4-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]-2-fluorobenzonitrile (CID 139823028) is 4-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]-2-fluorobenzonitrile?
The canonical SMILES for 4-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]-2-fluorobenzonitrile is CCC1CCC(c2ccc3c(F)c(-c4ccc(C#N)c(F)c4)ccc3c2)CC1.
What is the InChIKey of 4-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]-2-fluorobenzonitrile?
The InChIKey is FWRRMTSSHDUHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N/c1-2-16-3-5-17(6-4-16)18-9-11-22-19(13-18)10-12-23(25(22)27)20-7-8-21(15-28)24(26)14-20/h7-14,16-17H,2-6H2,1H3.
What are the key properties of 4-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]-2-fluorobenzonitrile?
4-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]-2-fluorobenzonitrile has a molecular weight of 375.46 g/mol, XLogP of 7.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 139823028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).