1,3-difluoro-5-[2-(4-pent-3-enylcyclohexyl)ethyl]-2-(trifluoromethoxy)benzene

C20H25F5O — CID 54261230

IUPAC1,3-difluoro-5-[2-(4-pent-3-enylcyclohexyl)ethyl]-2-(trifluoromethoxy)benzene
SMILESCC=CCCC1CCC(CCc2cc(F)c(OC(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C20H25F5O/c1-2-3-4-5-14-6-8-15(9-7-14)10-11-16-12-17(21)19(18(22)13-16)26-20(23,24)25/h2-3,12-15H,4-11H2,1H3
InChIKeyRDQGLKSNLIFZAC-UHFFFAOYSA-N
MW376.41 g/mol
LogP6.96
Rot. Bonds7

About 1,3-difluoro-5-[2-(4-pent-3-enylcyclohexyl)ethyl]-2-(trifluoromethoxy)benzene

1,3-difluoro-5-[2-(4-pent-3-enylcyclohexyl)ethyl]-2-(trifluoromethoxy)benzene (PubChem CID 54261230) has the molecular formula C20H25F5O and a molecular weight of 376.41 g/mol. Its IUPAC name is 1,3-difluoro-5-[2-(4-pent-3-enylcyclohexyl)ethyl]-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,3-difluoro-5-[2-(4-pent-3-enylcyclohexyl)ethyl]-2-(trifluoromethoxy)benzene
PubChem CID54261230
Molecular FormulaC20H25F5O
Molecular Weight376.41 g/mol
Exact Mass376.18
IUPAC Name1,3-difluoro-5-[2-(4-pent-3-enylcyclohexyl)ethyl]-2-(trifluoromethoxy)benzene
SMILESCC=CCCC1CCC(CCc2cc(F)c(OC(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C20H25F5O/c1-2-3-4-5-14-6-8-15(9-7-14)10-11-16-12-17(21)19(18(22)13-16)26-20(23,24)25/h2-3,12-15H,4-11H2,1H3
InChIKeyRDQGLKSNLIFZAC-UHFFFAOYSA-N
XLogP6.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,3-difluoro-5-[2-(4-pent-3-enylcyclohexyl)ethyl]-2-(trifluoromethoxy)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

1,3-difluoro-5-[2-[4-[4-[(E)-hex-4-enyl]cyclohexyl]cyclohexyl]ethyl]-2-(trifluoromethoxy)benzene
CID 67589702
1,3-difluoro-5-[2-[4-[(E)-hept-4-enyl]cyclohexyl]ethyl]-2-(trifluoromethoxy)benzene
CID 67588690
5-[2-[difluoro-[4-(4-pent-3-enylcyclohexyl)phenyl]methoxy]ethyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 90936715
2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54007665
1,2,3-trifluoro-5-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 67590146
5-[2-[4-[(E)-but-2-enyl]cyclohexyl]ethyl]-1,2,3-trifluorobenzene
CID 67588710
2-[chloro(difluoro)methyl]-5-[2,6-difluoro-4-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]phenyl]-1,3-difluorobenzene
CID 20653912
5-[2-[4-[(E)-but-2-enyl]cyclohexyl]ethyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 67589559
1,3-difluoro-5-[4-(4-hept-3-enylcyclohexyl)cyclohexyl]-2-(trifluoromethoxy)benzene
CID 54258081
1,2,3-trifluoro-5-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]benzene
CID 67589901
1,3-difluoro-5-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]-2-(trifluoromethoxy)benzene
CID 67589680
2-[[4-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluorophenyl]phenoxy]-difluoromethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 59327990

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[2-(4-pent-3-enylcyclohexyl)ethyl]-2-(trifluoromethoxy)benzene?
The IUPAC name of 1,3-difluoro-5-[2-(4-pent-3-enylcyclohexyl)ethyl]-2-(trifluoromethoxy)benzene (CID 54261230) is 1,3-difluoro-5-[2-(4-pent-3-enylcyclohexyl)ethyl]-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1,3-difluoro-5-[2-(4-pent-3-enylcyclohexyl)ethyl]-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1,3-difluoro-5-[2-(4-pent-3-enylcyclohexyl)ethyl]-2-(trifluoromethoxy)benzene is CC=CCCC1CCC(CCc2cc(F)c(OC(F)(F)F)c(F)c2)CC1.
What is the InChIKey of 1,3-difluoro-5-[2-(4-pent-3-enylcyclohexyl)ethyl]-2-(trifluoromethoxy)benzene?
The InChIKey is RDQGLKSNLIFZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F5O/c1-2-3-4-5-14-6-8-15(9-7-14)10-11-16-12-17(21)19(18(22)13-16)26-20(23,24)25/h2-3,12-15H,4-11H2,1H3.
What are the key properties of 1,3-difluoro-5-[2-(4-pent-3-enylcyclohexyl)ethyl]-2-(trifluoromethoxy)benzene?
1,3-difluoro-5-[2-(4-pent-3-enylcyclohexyl)ethyl]-2-(trifluoromethoxy)benzene has a molecular weight of 376.41 g/mol, XLogP of 6.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-[2-(4-pent-3-enylcyclohexyl)ethyl]-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 54261230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).