3-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]propyl prop-2-enoate

C24H32F2O2 — CID 59360278

IUPAC3-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C24H32F2O2/c1-2-24(27)28-15-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-14-22(25)23(26)16-21/h2,13-14,16-20H,1,3-12,15H2
InChIKeyUKFHTUYIYGVYRV-UHFFFAOYSA-N
MW390.51 g/mol
LogP6.55
Rot. Bonds7

About 3-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]propyl prop-2-enoate

3-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]propyl prop-2-enoate (PubChem CID 59360278) has the molecular formula C24H32F2O2 and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]propyl prop-2-enoate
PubChem CID59360278
Molecular FormulaC24H32F2O2
Molecular Weight390.51 g/mol
Exact Mass390.24
IUPAC Name3-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C24H32F2O2/c1-2-24(27)28-15-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-14-22(25)23(26)16-21/h2,13-14,16-20H,1,3-12,15H2
InChIKeyUKFHTUYIYGVYRV-UHFFFAOYSA-N
XLogP6.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]propyl prop-2-enoate 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-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]hexyl 2-methylprop-2-enoate
CID 59360200
1,2-difluoro-4-[4-(4-pent-4-enylcyclohexyl)cyclohexyl]benzene
CID 139724806
6-[2,6-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenoxy]hexyl prop-2-enoate
CID 59937239
1,2-difluoro-4-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]benzene
CID 67843257
4-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]butyl dihydrogen phosphate
CID 101384531
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate
CID 70268228
(E)-5-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]pent-2-enoic acid
CID 67643873
[4-fluoro-2-[4-[4-(3-prop-2-enoyloxypropyl)cyclohexyl]benzoyl]oxyphenyl] 4-[4-(3-prop-2-enoyloxypropyl)cyclohexyl]benzoate
CID 18979607
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]prop-2-en-1-one
CID 19101207
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
N-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-N-methylprop-2-enamide
CID 134244380

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]propyl prop-2-enoate?
The IUPAC name of 3-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]propyl prop-2-enoate (CID 59360278) is 3-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]propyl prop-2-enoate?
The canonical SMILES for 3-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]propyl prop-2-enoate is C=CC(=O)OCCCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of 3-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]propyl prop-2-enoate?
The InChIKey is UKFHTUYIYGVYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2O2/c1-2-24(27)28-15-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-14-22(25)23(26)16-21/h2,13-14,16-20H,1,3-12,15H2.
What are the key properties of 3-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]propyl prop-2-enoate?
3-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]propyl prop-2-enoate has a molecular weight of 390.51 g/mol, XLogP of 6.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]propyl prop-2-enoate is sourced from PubChem (CID 59360278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).