2-chloro-1-fluoro-4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene

C23H32ClF — CID 67610570

IUPAC2-chloro-1-fluoro-4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
SMILESC/C=C/C1CCC(CCC2CCC(c3ccc(F)c(Cl)c3)CC2)CC1
InChIInChI=1S/C23H32ClF/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-12-20(13-11-19)21-14-15-23(25)22(24)16-21/h2-3,14-20H,4-13H2,1H3/b3-2+
InChIKeyGDNQFLVFKRNMOI-NSCUHMNNSA-N
MW362.96 g/mol
LogP7.92
Rot. Bonds5

About 2-chloro-1-fluoro-4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene

2-chloro-1-fluoro-4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene (PubChem CID 67610570) has the molecular formula C23H32ClF and a molecular weight of 362.96 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
PubChem CID67610570
Molecular FormulaC23H32ClF
Molecular Weight362.96 g/mol
Exact Mass362.22
IUPAC Name2-chloro-1-fluoro-4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
SMILESC/C=C/C1CCC(CCC2CCC(c3ccc(F)c(Cl)c3)CC2)CC1
InChIInChI=1S/C23H32ClF/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-12-20(13-11-19)21-14-15-23(25)22(24)16-21/h2-3,14-20H,4-13H2,1H3/b3-2+
InChIKeyGDNQFLVFKRNMOI-NSCUHMNNSA-N
XLogP7.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.96
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-chloro-1-fluoro-4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene 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

1,2-difluoro-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]benzene
CID 54158717
2-chloro-1-fluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]benzene
CID 19095005
1-chloro-2-fluoro-4-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19094990
1,3-difluoro-5-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]-2-(trifluoromethoxy)benzene
CID 67589680
1,2-difluoro-4-[4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19695333
1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54039737
1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene
CID 67676134
3-chloro-2-fluoro-1-methyl-4-[4-[2-(4-prop-1-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 76607008
1,2-difluoro-4-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 54184964
6-[4-[(E)-prop-1-enyl]cyclohexyl]-2-(4-propylcyclohexyl)-1-benzothiophene
CID 140923425
1,2,3-trifluoro-5-[2-fluoro-4-(4-prop-1-enylcyclohexyl)phenyl]benzene
CID 54486923
1,3-difluoro-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-2-(trifluoromethyl)benzene
CID 70820945

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene?
The IUPAC name of 2-chloro-1-fluoro-4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene (CID 67610570) is 2-chloro-1-fluoro-4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene?
The canonical SMILES for 2-chloro-1-fluoro-4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene is C/C=C/C1CCC(CCC2CCC(c3ccc(F)c(Cl)c3)CC2)CC1.
What is the InChIKey of 2-chloro-1-fluoro-4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene?
The InChIKey is GDNQFLVFKRNMOI-NSCUHMNNSA-N. The full InChI is InChI=1S/C23H32ClF/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-12-20(13-11-19)21-14-15-23(25)22(24)16-21/h2-3,14-20H,4-13H2,1H3/b3-2+.
What are the key properties of 2-chloro-1-fluoro-4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene?
2-chloro-1-fluoro-4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene has a molecular weight of 362.96 g/mol, XLogP of 7.92, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene is sourced from PubChem (CID 67610570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).