1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene

C16H17F5 — CID 18658497

IUPAC1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene
SMILESC=CCC1CCC(c2cc(F)c(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C16H17F5/c1-2-3-10-4-6-11(7-5-10)12-8-13(17)15(14(18)9-12)16(19,20)21/h2,8-11H,1,3-7H2
InChIKeyCWDBAOGXASTORV-UHFFFAOYSA-N
MW304.30 g/mol
LogP5.83
Rot. Bonds3

About 1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene

1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene (PubChem CID 18658497) has the molecular formula C16H17F5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene
PubChem CID18658497
Molecular FormulaC16H17F5
Molecular Weight304.30 g/mol
Exact Mass304.13
IUPAC Name1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene
SMILESC=CCC1CCC(c2cc(F)c(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C16H17F5/c1-2-3-10-4-6-11(7-5-10)12-8-13(17)15(14(18)9-12)16(19,20)21/h2,8-11H,1,3-7H2
InChIKeyCWDBAOGXASTORV-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.30
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-difluoro-5-[4-(4-pent-4-enylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 54517135
2,6-difluoro-4-[4-[(E)-2-(4-prop-2-enylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
CID 67741326
4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde
CID 19039186
2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexyl]-6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868571
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139865659
1,3-difluoro-5-[4-[2-[4-[(E)-hept-5-enyl]cyclohexyl]ethyl]cyclohexyl]-2-(trifluoromethyl)benzene
CID 67588902
5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene
CID 162547060
5-[4-[2-(4-decylcyclohexyl)ethenyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 54260786
1,3-difluoro-5-[4-[2-[4-(3-methylpentyl)cyclohexyl]ethyl]cyclohexyl]-2-(trifluoromethyl)benzene
CID 22373797
5-[4-[(E)-4-(4-ethylcyclohexyl)but-3-enyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 139629305
2-fluoro-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]benzonitrile
CID 67748222
1,2,3-trifluoro-5-(4-pent-4-enylcyclohexyl)benzene
CID 54212260

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene (CID 18658497) is 1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene is C=CCC1CCC(c2cc(F)c(C(F)(F)F)c(F)c2)CC1.
What is the InChIKey of 1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene?
The InChIKey is CWDBAOGXASTORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F5/c1-2-3-10-4-6-11(7-5-10)12-8-13(17)15(14(18)9-12)16(19,20)21/h2,8-11H,1,3-7H2.
What are the key properties of 1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene?
1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene has a molecular weight of 304.30 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 18658497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).