6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene

C27H22F4 — CID 139871753

IUPAC6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
SMILESCCCc1cc(F)c(-c2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)c(F)c1
InChIInChI=1S/C27H22F4/c1-2-3-18-14-24(29)26(25(30)15-18)21-10-13-23-20(16-21)9-8-19(27(23)31)7-4-17-5-11-22(28)12-6-17/h5-6,8-16H,2-4,7H2,1H3
InChIKeyIMUOOAXYMIMYFL-UHFFFAOYSA-N
MW422.47 g/mol
LogP7.80
Rot. Bonds6

About 6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene

6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene (PubChem CID 139871753) has the molecular formula C27H22F4 and a molecular weight of 422.47 g/mol. Its IUPAC name is 6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene.

Molecular Properties

Compound Name6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
PubChem CID139871753
Molecular FormulaC27H22F4
Molecular Weight422.47 g/mol
Exact Mass422.17
IUPAC Name6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
SMILESCCCc1cc(F)c(-c2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)c(F)c1
InChIInChI=1S/C27H22F4/c1-2-3-18-14-24(29)26(25(30)15-18)21-10-13-23-20(16-21)9-8-19(27(23)31)7-4-17-5-11-22(28)12-6-17/h5-6,8-16H,2-4,7H2,1H3
InChIKeyIMUOOAXYMIMYFL-UHFFFAOYSA-N
XLogP7.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.47
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]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

6-(2,6-difluoro-4-propylphenyl)-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139872854
6-(4-butyl-2,6-difluorophenyl)-2-[2-(4-chlorophenyl)ethyl]-1-fluoronaphthalene
CID 139873026
6-(4-butyl-2,6-difluorophenyl)-2-[2-(3,4-difluorophenyl)ethyl]-1-fluoronaphthalene
CID 139871294
2-[2-(4-chloro-3-fluorophenyl)ethyl]-6-(4-ethyl-2,6-difluorophenyl)-1-fluoronaphthalene
CID 139870746
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylphenyl)naphthalene
CID 139873971
6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
CID 139871424
6-(2,6-difluoro-4-heptylphenyl)-2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoronaphthalene
CID 139873860
6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139873862
1-fluoro-6-[2-(2-fluoro-4-pentylphenyl)ethyl]-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139874274
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoro-6-[2-(4-propylphenyl)ethyl]naphthalene
CID 139872661
6-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
CID 139875545
2-[2-(4-chloro-3,5-difluorophenyl)ethyl]-6-(4-ethoxy-2,6-difluorophenyl)-1-fluoronaphthalene
CID 139874921

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene?
The IUPAC name of 6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene (CID 139871753) is 6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene.
What is the SMILES notation for 6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene?
The canonical SMILES for 6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene is CCCc1cc(F)c(-c2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)c(F)c1.
What is the InChIKey of 6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene?
The InChIKey is IMUOOAXYMIMYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F4/c1-2-3-18-14-24(29)26(25(30)15-18)21-10-13-23-20(16-21)9-8-19(27(23)31)7-4-17-5-11-22(28)12-6-17/h5-6,8-16H,2-4,7H2,1H3.
What are the key properties of 6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene?
6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene has a molecular weight of 422.47 g/mol, XLogP of 7.80, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene is sourced from PubChem (CID 139871753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).