1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene

C30H28F4 — CID 139873693

IUPAC1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
SMILESCCCCCc1ccc(-c2ccc3c(F)c(CCc4ccc(C(F)(F)F)cc4)ccc3c2)cc1
InChIInChI=1S/C30H28F4/c1-2-3-4-5-21-6-11-23(12-7-21)25-16-19-28-26(20-25)15-14-24(29(28)31)13-8-22-9-17-27(18-10-22)30(32,33)34/h6-7,9-12,14-20H,2-5,8,13H2,1H3
InChIKeyMENBJBNTRSXJAU-UHFFFAOYSA-N
MW464.55 g/mol
LogP9.18
Rot. Bonds8

About 1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene

1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene (PubChem CID 139873693) has the molecular formula C30H28F4 and a molecular weight of 464.55 g/mol. Its IUPAC name is 1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
PubChem CID139873693
Molecular FormulaC30H28F4
Molecular Weight464.55 g/mol
Exact Mass464.21
IUPAC Name1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
SMILESCCCCCc1ccc(-c2ccc3c(F)c(CCc4ccc(C(F)(F)F)cc4)ccc3c2)cc1
InChIInChI=1S/C30H28F4/c1-2-3-4-5-21-6-11-23(12-7-21)25-16-19-28-26(20-25)15-14-24(29(28)31)13-8-22-9-17-27(18-10-22)30(32,33)34/h6-7,9-12,14-20H,2-5,8,13H2,1H3
InChIKeyMENBJBNTRSXJAU-UHFFFAOYSA-N
XLogP9.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.55
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-6-(4-pentoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139874209
1-fluoro-6-[2-(2-fluoro-4-heptylphenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139871678
1-fluoro-6-(4-heptylphenyl)-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139874489
6-(4-ethoxyphenyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139875416
1-fluoro-6-[4-(methoxymethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139873011
6-(4-butylphenyl)-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
CID 139871424
6-[2-(4-butylphenyl)ethynyl]-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139850661
1-fluoro-6-(4-pentoxyphenyl)-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139873720
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylphenyl)naphthalene
CID 139873971
6-[2-(4-butoxy-2-fluorophenyl)ethyl]-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139875658
1,2-difluoro-6-(4-hexylphenyl)naphthalene
CID 139846673
1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene
CID 139861681

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene?
The IUPAC name of 1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene (CID 139873693) is 1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene.
What is the SMILES notation for 1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene?
The canonical SMILES for 1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene is CCCCCc1ccc(-c2ccc3c(F)c(CCc4ccc(C(F)(F)F)cc4)ccc3c2)cc1.
What is the InChIKey of 1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene?
The InChIKey is MENBJBNTRSXJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F4/c1-2-3-4-5-21-6-11-23(12-7-21)25-16-19-28-26(20-25)15-14-24(29(28)31)13-8-22-9-17-27(18-10-22)30(32,33)34/h6-7,9-12,14-20H,2-5,8,13H2,1H3.
What are the key properties of 1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene?
1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene has a molecular weight of 464.55 g/mol, XLogP of 9.18, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-(4-pentylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene is sourced from PubChem (CID 139873693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).