1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene

C30H32F4 — CID 139872751

IUPAC1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
SMILESC/C=C/CCC1CCC(c2ccc3c(F)c(CCc4ccc(C(F)(F)F)cc4)ccc3c2)CC1
InChIInChI=1S/C30H32F4/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/h2-3,9-10,14-21,23H,4-8,11-13H2,1H3/b3-2+
InChIKeyJQCJAKRURPUYMP-NSCUHMNNSA-N
MW468.58 g/mol
LogP9.41
Rot. Bonds7

About 1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene

1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene (PubChem CID 139872751) has the molecular formula C30H32F4 and a molecular weight of 468.58 g/mol. Its IUPAC name is 1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
PubChem CID139872751
Molecular FormulaC30H32F4
Molecular Weight468.58 g/mol
Exact Mass468.24
IUPAC Name1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
SMILESC/C=C/CCC1CCC(c2ccc3c(F)c(CCc4ccc(C(F)(F)F)cc4)ccc3c2)CC1
InChIInChI=1S/C30H32F4/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/h2-3,9-10,14-21,23H,4-8,11-13H2,1H3/b3-2+
InChIKeyJQCJAKRURPUYMP-NSCUHMNNSA-N
XLogP9.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]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-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139874807
1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-(trifluoromethyl)naphthalene
CID 139856609
6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139863783
6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139860944
1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene
CID 139862905
6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139864036
2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]-5-[(E)-pent-3-enyl]-1,3-dioxane
CID 139871995
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene
CID 139873665
1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139874301
1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethynyl]-2-pentylnaphthalene
CID 139876757
1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene
CID 139863231
6-(4-but-3-enylcyclohexyl)-1-fluoro-2-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139874600

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene?
The IUPAC name of 1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene (CID 139872751) is 1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene.
What is the SMILES notation for 1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene?
The canonical SMILES for 1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene is C/C=C/CCC1CCC(c2ccc3c(F)c(CCc4ccc(C(F)(F)F)cc4)ccc3c2)CC1.
What is the InChIKey of 1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene?
The InChIKey is JQCJAKRURPUYMP-NSCUHMNNSA-N. The full InChI is InChI=1S/C30H32F4/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/h2-3,9-10,14-21,23H,4-8,11-13H2,1H3/b3-2+.
What are the key properties of 1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene?
1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene has a molecular weight of 468.58 g/mol, XLogP of 9.41, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene is sourced from PubChem (CID 139872751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).