1-[(E)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethoxy)cyclohexane

C16H23F5O — CID 143823268

IUPAC1-[(E)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethoxy)cyclohexane
SMILESCC1CCC(/C(F)=C(\F)C2CCC(OC(F)(F)F)CC2)CC1
InChIInChI=1S/C16H23F5O/c1-10-2-4-11(5-3-10)14(17)15(18)12-6-8-13(9-7-12)22-16(19,20)21/h10-13H,2-9H2,1H3/b15-14+
InChIKeyPLPCHIXCHTXTDO-CCEZHUSRSA-N
MW326.35 g/mol
LogP6.06
Rot. Bonds3

About 1-[(E)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethoxy)cyclohexane

1-[(E)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethoxy)cyclohexane (PubChem CID 143823268) has the molecular formula C16H23F5O and a molecular weight of 326.35 g/mol. Its IUPAC name is 1-[(E)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethoxy)cyclohexane.

Molecular Properties

Compound Name1-[(E)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethoxy)cyclohexane
PubChem CID143823268
Molecular FormulaC16H23F5O
Molecular Weight326.35 g/mol
Exact Mass326.17
IUPAC Name1-[(E)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethoxy)cyclohexane
SMILESCC1CCC(/C(F)=C(\F)C2CCC(OC(F)(F)F)CC2)CC1
InChIInChI=1S/C16H23F5O/c1-10-2-4-11(5-3-10)14(17)15(18)12-6-8-13(9-7-12)22-16(19,20)21/h10-13H,2-9H2,1H3/b15-14+
InChIKeyPLPCHIXCHTXTDO-CCEZHUSRSA-N
XLogP6.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.35
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-1-Cyclohexyl-1-(cyclohexyloxy)-2,3,3,3-tetrafluoro-1-propene
CID 11055493
1-Methyl-4-[[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane
CID 58665509
1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-(trifluoromethoxy)cyclohexane
CID 70994822
2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]cyclohexane
CID 88900469
1-methoxy-4-[4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexyl]cyclohexane
CID 117946220
1-propyl-4-[[4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexyl]methoxy]cyclohexane
CID 117946295
1-propyl-4-[[4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexyl]oxymethyl]cyclohexane
CID 117946297
1-[(3,4-difluorocyclohexyl)oxy-difluoromethyl]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexane
CID 121258242
5-[difluoro-[2-fluoro-4-[(E)-prop-1-enyl]cyclohexyl]methoxy]-1,2,3-trifluorocyclohexane
CID 121258261
1-Methoxy-4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexane
CID 123190588
1-Propyl-4-[[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxymethyl]cyclohexane
CID 123211120
2-[Difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-1,3-difluoro-5-prop-1-enylcyclohexane
CID 123483501

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethoxy)cyclohexane?
The IUPAC name of 1-[(E)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethoxy)cyclohexane (CID 143823268) is 1-[(E)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethoxy)cyclohexane.
What is the SMILES notation for 1-[(E)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethoxy)cyclohexane?
The canonical SMILES for 1-[(E)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethoxy)cyclohexane is CC1CCC(/C(F)=C(\F)C2CCC(OC(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[(E)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethoxy)cyclohexane?
The InChIKey is PLPCHIXCHTXTDO-CCEZHUSRSA-N. The full InChI is InChI=1S/C16H23F5O/c1-10-2-4-11(5-3-10)14(17)15(18)12-6-8-13(9-7-12)22-16(19,20)21/h10-13H,2-9H2,1H3/b15-14+.
What are the key properties of 1-[(E)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethoxy)cyclohexane?
1-[(E)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethoxy)cyclohexane has a molecular weight of 326.35 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-difluoro-2-(4-methylcyclohexyl)ethenyl]-4-(trifluoromethoxy)cyclohexane is sourced from PubChem (CID 143823268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).