6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene

C34H34F6O — CID 139872902

IUPAC6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene
SMILESCCCCCCCc1cc(F)c(CCc2ccc3c(F)c(CCc4ccc(OC(F)F)c(F)c4)ccc3c2)c(F)c1
InChIInChI=1S/C34H34F6O/c1-2-3-4-5-6-7-24-20-29(35)28(30(36)21-24)16-10-22-9-15-27-26(18-22)14-13-25(33(27)38)12-8-23-11-17-32(31(37)19-23)41-34(39)40/h9,11,13-15,17-21,34H,2-8,10,12,16H2,1H3
InChIKeyVYGJAFAPVPQKFZ-UHFFFAOYSA-N
MW572.63 g/mol
LogP10.08
Rot. Bonds14

About 6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene

6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene (PubChem CID 139872902) has the molecular formula C34H34F6O and a molecular weight of 572.63 g/mol. Its IUPAC name is 6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene.

Molecular Properties

Compound Name6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene
PubChem CID139872902
Molecular FormulaC34H34F6O
Molecular Weight572.63 g/mol
Exact Mass572.25
IUPAC Name6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene
SMILESCCCCCCCc1cc(F)c(CCc2ccc3c(F)c(CCc4ccc(OC(F)F)c(F)c4)ccc3c2)c(F)c1
InChIInChI=1S/C34H34F6O/c1-2-3-4-5-6-7-24-20-29(35)28(30(36)21-24)16-10-22-9-15-27-26(18-22)14-13-25(33(27)38)12-8-23-11-17-32(31(37)19-23)41-34(39)40/h9,11,13-15,17-21,34H,2-8,10,12,16H2,1H3
InChIKeyVYGJAFAPVPQKFZ-UHFFFAOYSA-N
XLogP10.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.63
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene 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

2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(4-hexylphenyl)ethyl]naphthalene
CID 139875231
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]naphthalene
CID 139874649
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-(4-hexylphenyl)naphthalene
CID 139875090
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(4-hexoxyphenyl)ethyl]naphthalene
CID 139871004
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(4-propylphenyl)ethyl]naphthalene
CID 139872431
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(2-fluoro-4-propylphenyl)ethyl]naphthalene
CID 139873908
2-[2-(4-chloro-3-fluorophenyl)ethyl]-6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-1-fluoronaphthalene
CID 139874931
6-(2,6-difluoro-4-hexoxyphenyl)-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene
CID 139870950
2-(difluoromethoxy)-6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoronaphthalene
CID 139855620
5-butyl-2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]pyrimidine
CID 139874547
6-[2-(2,6-difluoro-4-hexylphenyl)ethyl]-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139871047
6-[2-(4-butyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139873862

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene?
The IUPAC name of 6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene (CID 139872902) is 6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene.
What is the SMILES notation for 6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene?
The canonical SMILES for 6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene is CCCCCCCc1cc(F)c(CCc2ccc3c(F)c(CCc4ccc(OC(F)F)c(F)c4)ccc3c2)c(F)c1.
What is the InChIKey of 6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene?
The InChIKey is VYGJAFAPVPQKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F6O/c1-2-3-4-5-6-7-24-20-29(35)28(30(36)21-24)16-10-22-9-15-27-26(18-22)14-13-25(33(27)38)12-8-23-11-17-32(31(37)19-23)41-34(39)40/h9,11,13-15,17-21,34H,2-8,10,12,16H2,1H3.
What are the key properties of 6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene?
6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene has a molecular weight of 572.63 g/mol, XLogP of 10.08, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoronaphthalene is sourced from PubChem (CID 139872902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).