4-[2-[6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2-fluorobenzonitrile

C29H23F4N — CID 139871615

IUPAC4-[2-[6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2-fluorobenzonitrile
SMILESCCc1cc(F)c(CCc2ccc3c(F)c(CCc4ccc(C#N)c(F)c4)ccc3c2)c(F)c1
InChIInChI=1S/C29H23F4N/c1-2-18-14-27(31)25(28(32)15-18)12-6-19-5-11-24-22(13-19)10-9-21(29(24)33)7-3-20-4-8-23(17-34)26(30)16-20/h4-5,8-11,13-16H,2-3,6-7,12H2,1H3
InChIKeyQVPSATPJEUAKCQ-UHFFFAOYSA-N
MW461.50 g/mol
LogP7.40
Rot. Bonds7

About 4-[2-[6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2-fluorobenzonitrile

4-[2-[6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2-fluorobenzonitrile (PubChem CID 139871615) has the molecular formula C29H23F4N and a molecular weight of 461.50 g/mol. Its IUPAC name is 4-[2-[6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[2-[6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2-fluorobenzonitrile
PubChem CID139871615
Molecular FormulaC29H23F4N
Molecular Weight461.50 g/mol
Exact Mass461.18
IUPAC Name4-[2-[6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2-fluorobenzonitrile
SMILESCCc1cc(F)c(CCc2ccc3c(F)c(CCc4ccc(C#N)c(F)c4)ccc3c2)c(F)c1
InChIInChI=1S/C29H23F4N/c1-2-18-14-27(31)25(28(32)15-18)12-6-19-5-11-24-22(13-19)10-9-21(29(24)33)7-3-20-4-8-23(17-34)26(30)16-20/h4-5,8-11,13-16H,2-3,6-7,12H2,1H3
InChIKeyQVPSATPJEUAKCQ-UHFFFAOYSA-N
XLogP7.40
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.50
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[2-[6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-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-[2-(4-ethoxy-2,6-difluorophenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2-fluorobenzonitrile
CID 139872300
2-fluoro-4-[2-[1-fluoro-6-[2-(2-fluoro-4-hexylphenyl)ethyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139871731
4-[2-[6-[2-(2,6-difluoro-4-propylphenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2,6-difluorobenzonitrile
CID 139871184
6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139870715
6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139873964
6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139871100
4-[2-[6-[2-(4-ethoxy-2,6-difluorophenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]benzonitrile
CID 139872736
4-[2-[6-(4-but-3-enylphenyl)-1-fluoronaphthalen-2-yl]ethyl]-2-fluorobenzonitrile
CID 139872494
6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139873862
6-[2-(2,6-difluoro-4-propylphenyl)ethyl]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139874812
4-[2-[6-[2-(5-ethyl-2-pyridinyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2,6-difluorobenzonitrile
CID 139872989
2-fluoro-4-[2-[1-fluoro-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139850346

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2-fluorobenzonitrile?
The IUPAC name of 4-[2-[6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2-fluorobenzonitrile (CID 139871615) is 4-[2-[6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[2-[6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2-fluorobenzonitrile?
The canonical SMILES for 4-[2-[6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2-fluorobenzonitrile is CCc1cc(F)c(CCc2ccc3c(F)c(CCc4ccc(C#N)c(F)c4)ccc3c2)c(F)c1.
What is the InChIKey of 4-[2-[6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2-fluorobenzonitrile?
The InChIKey is QVPSATPJEUAKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F4N/c1-2-18-14-27(31)25(28(32)15-18)12-6-19-5-11-24-22(13-19)10-9-21(29(24)33)7-3-20-4-8-23(17-34)26(30)16-20/h4-5,8-11,13-16H,2-3,6-7,12H2,1H3.
What are the key properties of 4-[2-[6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2-fluorobenzonitrile?
4-[2-[6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2-fluorobenzonitrile has a molecular weight of 461.50 g/mol, XLogP of 7.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoronaphthalen-2-yl]ethyl]-2-fluorobenzonitrile is sourced from PubChem (CID 139871615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).