1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene

C34H34F6O — CID 139872240

IUPAC1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene
SMILESCCCCCCCc1ccc(CCc2ccc3c(F)c(CCc4ccc(OC(F)(F)F)c(F)c4)ccc3c2)c(F)c1
InChIInChI=1S/C34H34F6O/c1-2-3-4-5-6-7-23-8-13-26(30(35)21-23)14-9-24-11-18-29-28(20-24)17-16-27(33(29)37)15-10-25-12-19-32(31(36)22-25)41-34(38,39)40/h8,11-13,16-22H,2-7,9-10,14-15H2,1H3
InChIKeyFIQWFCJKPAHFRW-UHFFFAOYSA-N
MW572.63 g/mol
LogP10.24
Rot. Bonds13

About 1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene

1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene (PubChem CID 139872240) has the molecular formula C34H34F6O and a molecular weight of 572.63 g/mol. Its IUPAC name is 1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene
PubChem CID139872240
Molecular FormulaC34H34F6O
Molecular Weight572.63 g/mol
Exact Mass572.25
IUPAC Name1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene
SMILESCCCCCCCc1ccc(CCc2ccc3c(F)c(CCc4ccc(OC(F)(F)F)c(F)c4)ccc3c2)c(F)c1
InChIInChI=1S/C34H34F6O/c1-2-3-4-5-6-7-23-8-13-26(30(35)21-23)14-9-24-11-18-29-28(20-24)17-16-27(33(29)37)15-10-25-12-19-32(31(36)22-25)41-34(38,39)40/h8,11-13,16-22H,2-7,9-10,14-15H2,1H3
InChIKeyFIQWFCJKPAHFRW-UHFFFAOYSA-N
XLogP10.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.63
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]ethyl]-5-pentylpyrimidine
CID 139873979
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-6-[2-(4-heptylcyclohexyl)ethyl]naphthalene
CID 139870919
1-fluoro-6-[2-(2-fluoro-4-propoxyphenyl)ethyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139874559
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]naphthalene
CID 139874649
6-[2-(2,6-difluoro-4-hexylphenyl)ethyl]-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139871047
1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139871678
5-butoxy-2-[2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]ethyl]pyrimidine
CID 139873550
6-[2-(4-ethyl-2,6-difluorophenyl)ethyl]-1-fluoro-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139873964
1-fluoro-6-[2-(2-fluoro-4-pentylphenyl)ethyl]-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139874274
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-(4-hexylphenyl)ethyl]naphthalene
CID 139875231
2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-4-heptylpyridine
CID 139871752
2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoro-6-[2-(2-fluoro-4-pentylphenyl)ethyl]naphthalene
CID 139874454

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene?
The IUPAC name of 1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene (CID 139872240) is 1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene.
What is the SMILES notation for 1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene?
The canonical SMILES for 1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene is CCCCCCCc1ccc(CCc2ccc3c(F)c(CCc4ccc(OC(F)(F)F)c(F)c4)ccc3c2)c(F)c1.
What is the InChIKey of 1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene?
The InChIKey is FIQWFCJKPAHFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F6O/c1-2-3-4-5-6-7-23-8-13-26(30(35)21-23)14-9-24-11-18-29-28(20-24)17-16-27(33(29)37)15-10-25-12-19-32(31(36)22-25)41-34(38,39)40/h8,11-13,16-22H,2-7,9-10,14-15H2,1H3.
What are the key properties of 1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene?
1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene has a molecular weight of 572.63 g/mol, XLogP of 10.24, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]-2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalene is sourced from PubChem (CID 139872240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).