(3Z)-5-(2,3-difluorocyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol

C12H12F2O — CID 145173381

IUPAC(3Z)-5-(2,3-difluorocyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C)C1=C(F)C(F)=CCC1
InChIInChI=1S/C12H12F2O/c1-8(6-7-9(2)15)10-4-3-5-11(13)12(10)14/h5-7,15H,1-4H2/b7-6-
InChIKeyFVPWNJOTKBSWOS-SREVYHEPSA-N
MW210.22 g/mol
LogP4.04
Rot. Bonds3

About (3Z)-5-(2,3-difluorocyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol

(3Z)-5-(2,3-difluorocyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol (PubChem CID 145173381) has the molecular formula C12H12F2O and a molecular weight of 210.22 g/mol. Its IUPAC name is (3Z)-5-(2,3-difluorocyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z)-5-(2,3-difluorocyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol
PubChem CID145173381
Molecular FormulaC12H12F2O
Molecular Weight210.22 g/mol
Exact Mass210.09
IUPAC Name(3Z)-5-(2,3-difluorocyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C)C1=C(F)C(F)=CCC1
InChIInChI=1S/C12H12F2O/c1-8(6-7-9(2)15)10-4-3-5-11(13)12(10)14/h5-7,15H,1-4H2/b7-6-
InChIKeyFVPWNJOTKBSWOS-SREVYHEPSA-N
XLogP4.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 54.04
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'}

Analyze (3Z)-5-(2,3-difluorocyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol with MolForge

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Related Compounds

1h-Benzocyclohepten-7-ol
CID 89415446
(3Z,5E)-5-fluoro-8-methylnona-1,3,5,8-tetraen-2-ol
CID 88583275
3-Fluoro-5-methylcyclohexa-1,5-dien-1-ol
CID 88988420
(Z,1E)-1-[6-ethenylidene-4-(fluoromethyl)cyclohexa-2,4-dien-1-ylidene]but-2-en-1-ol
CID 89292335
4-Ethenyl-2,4-difluorocyclohexa-1,5-dien-1-ol
CID 130339575
4-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)cyclohexa-1,5-dien-1-ol
CID 140067914
(3E,7Z)-3-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene-2,9-diol
CID 142358907
(3Z)-3,4-difluoro-5-(4-propylcyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol
CID 142363335
(3E)-3-(2,3-difluoro-6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-en-2-ol
CID 143810735
(3E)-4-fluoro-5-methylidenenona-1,3,8-trien-2-ol
CID 143908507
(3Z,7Z)-3,4-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene-2,9-diol
CID 144028448
(3Z)-5-(fluoromethyl)hexa-1,3,5-trien-2-ol
CID 144690541

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(2,3-difluorocyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol?
The IUPAC name of (3Z)-5-(2,3-difluorocyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol (CID 145173381) is (3Z)-5-(2,3-difluorocyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z)-5-(2,3-difluorocyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol?
The canonical SMILES for (3Z)-5-(2,3-difluorocyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol is C=C(O)/C=C\C(=C)C1=C(F)C(F)=CCC1.
What is the InChIKey of (3Z)-5-(2,3-difluorocyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol?
The InChIKey is FVPWNJOTKBSWOS-SREVYHEPSA-N. The full InChI is InChI=1S/C12H12F2O/c1-8(6-7-9(2)15)10-4-3-5-11(13)12(10)14/h5-7,15H,1-4H2/b7-6-.
What are the key properties of (3Z)-5-(2,3-difluorocyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol?
(3Z)-5-(2,3-difluorocyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol has a molecular weight of 210.22 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(2,3-difluorocyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol is sourced from PubChem (CID 145173381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).