2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enylcyclohexyl)naphthalene

C28H29F3O — CID 139871894

IUPAC2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enylcyclohexyl)naphthalene
SMILESC=CCC1CCC(c2ccc3c(F)c(CCc4ccc(OC(F)F)cc4)ccc3c2)CC1
InChIInChI=1S/C28H29F3O/c1-2-3-19-4-9-21(10-5-19)23-14-17-26-24(18-23)13-12-22(27(26)29)11-6-20-7-15-25(16-8-20)32-28(30)31/h2,7-8,12-19,21,28H,1,3-6,9-11H2
InChIKeyQCPBWPYHGVJWGA-UHFFFAOYSA-N
MW438.53 g/mol
LogP8.22
Rot. Bonds8

About 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enylcyclohexyl)naphthalene

2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enylcyclohexyl)naphthalene (PubChem CID 139871894) has the molecular formula C28H29F3O and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enylcyclohexyl)naphthalene.

Molecular Properties

Compound Name2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enylcyclohexyl)naphthalene
PubChem CID139871894
Molecular FormulaC28H29F3O
Molecular Weight438.53 g/mol
Exact Mass438.22
IUPAC Name2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enylcyclohexyl)naphthalene
SMILESC=CCC1CCC(c2ccc3c(F)c(CCc4ccc(OC(F)F)cc4)ccc3c2)CC1
InChIInChI=1S/C28H29F3O/c1-2-3-19-4-9-21(10-5-19)23-14-17-26-24(18-23)13-12-22(27(26)29)11-6-20-7-15-25(16-8-20)32-28(30)31/h2,7-8,12-19,21,28H,1,3-6,9-11H2
InChIKeyQCPBWPYHGVJWGA-UHFFFAOYSA-N
XLogP8.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enylcyclohexyl)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

2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-pentylcyclohexyl)naphthalene
CID 139870936
1-fluoro-6-[2-(4-prop-2-enylcyclohexyl)ethyl]-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139872559
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]naphthalene
CID 139873212
2-[6-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-propyl-1,3-dioxane
CID 139871102
2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
CID 139862169
2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene
CID 139862071
1-fluoro-6-[4-(2-methoxyethyl)cyclohexyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139874301
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[4-(3-methoxypropyl)cyclohexyl]ethyl]naphthalene
CID 139875551
6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139864036
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)naphthalene
CID 139874566
6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139874807
4-[2-[1-fluoro-6-[2-(4-prop-2-enylcyclohexyl)ethyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139874581

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enylcyclohexyl)naphthalene?
The IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enylcyclohexyl)naphthalene (CID 139871894) is 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enylcyclohexyl)naphthalene.
What is the SMILES notation for 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enylcyclohexyl)naphthalene?
The canonical SMILES for 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enylcyclohexyl)naphthalene is C=CCC1CCC(c2ccc3c(F)c(CCc4ccc(OC(F)F)cc4)ccc3c2)CC1.
What is the InChIKey of 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enylcyclohexyl)naphthalene?
The InChIKey is QCPBWPYHGVJWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3O/c1-2-3-19-4-9-21(10-5-19)23-14-17-26-24(18-23)13-12-22(27(26)29)11-6-20-7-15-25(16-8-20)32-28(30)31/h2,7-8,12-19,21,28H,1,3-6,9-11H2.
What are the key properties of 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enylcyclohexyl)naphthalene?
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enylcyclohexyl)naphthalene has a molecular weight of 438.53 g/mol, XLogP of 8.22, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enylcyclohexyl)naphthalene is sourced from PubChem (CID 139871894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).