(3Z)-5-cyclohexyl-3,4-difluorohexa-1,3,5-trien-2-ol

C12H16F2O — CID 156558712

IUPAC(3Z)-5-cyclohexyl-3,4-difluorohexa-1,3,5-trien-2-ol
SMILESC=C(O)/C(F)=C(/F)C(=C)C1CCCCC1
InChIInChI=1S/C12H16F2O/c1-8(10-6-4-3-5-7-10)11(13)12(14)9(2)15/h10,15H,1-7H2/b12-11-
InChIKeyDMVIZOQLFQHLCL-QXMHVHEDSA-N
MW214.25 g/mol
LogP4.35
Rot. Bonds3

About (3Z)-5-cyclohexyl-3,4-difluorohexa-1,3,5-trien-2-ol

(3Z)-5-cyclohexyl-3,4-difluorohexa-1,3,5-trien-2-ol (PubChem CID 156558712) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is (3Z)-5-cyclohexyl-3,4-difluorohexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z)-5-cyclohexyl-3,4-difluorohexa-1,3,5-trien-2-ol
PubChem CID156558712
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name(3Z)-5-cyclohexyl-3,4-difluorohexa-1,3,5-trien-2-ol
SMILESC=C(O)/C(F)=C(/F)C(=C)C1CCCCC1
InChIInChI=1S/C12H16F2O/c1-8(10-6-4-3-5-7-10)11(13)12(14)9(2)15/h10,15H,1-7H2/b12-11-
InChIKeyDMVIZOQLFQHLCL-QXMHVHEDSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5E)-6-cyclohexyl-2-methylhepta-3,5-dien-2-ol
CID 118715380
(3Z)-3,4-difluoro-5-(4-propylcyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol
CID 142363335
(3Z)-3,4-difluoro-6,9-dimethyl-5-methylidenedeca-1,3-dien-2-ol
CID 143777055
(3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3-dien-2-ol
CID 143777056
(3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol
CID 144733838
(3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol
CID 145079834
(3Z)-3,4-difluoro-6,9,10-trimethyl-5-methylidenetetradeca-1,3-dien-2-ol
CID 145173376
(3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3-dien-2-ol
CID 145173377
(4S)-6-fluoro-5-methyl-4-(4-methylcyclohexen-1-yl)cyclohexa-1,5-dien-1-ol
CID 163479826
(3Z)-3,4,11-trifluoro-6,9-dimethyl-5,10-dimethylidenedodeca-1,3,11-trien-2-ol
CID 144156283
(3Z,6E,8E)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenepentadeca-1,3,6,8-tetraen-2-ol
CID 144714611
(3Z,5E,6Z,7E)-9-cyclohexyl-5,6-di(ethylidene)-7-fluoronona-1,3,7-trien-2-ol
CID 145022697

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-cyclohexyl-3,4-difluorohexa-1,3,5-trien-2-ol?
The IUPAC name of (3Z)-5-cyclohexyl-3,4-difluorohexa-1,3,5-trien-2-ol (CID 156558712) is (3Z)-5-cyclohexyl-3,4-difluorohexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z)-5-cyclohexyl-3,4-difluorohexa-1,3,5-trien-2-ol?
The canonical SMILES for (3Z)-5-cyclohexyl-3,4-difluorohexa-1,3,5-trien-2-ol is C=C(O)/C(F)=C(/F)C(=C)C1CCCCC1.
What is the InChIKey of (3Z)-5-cyclohexyl-3,4-difluorohexa-1,3,5-trien-2-ol?
The InChIKey is DMVIZOQLFQHLCL-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H16F2O/c1-8(10-6-4-3-5-7-10)11(13)12(14)9(2)15/h10,15H,1-7H2/b12-11-.
What are the key properties of (3Z)-5-cyclohexyl-3,4-difluorohexa-1,3,5-trien-2-ol?
(3Z)-5-cyclohexyl-3,4-difluorohexa-1,3,5-trien-2-ol has a molecular weight of 214.25 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-cyclohexyl-3,4-difluorohexa-1,3,5-trien-2-ol is sourced from PubChem (CID 156558712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).