(3Z)-3,4-difluoro-5-methoxyhexa-1,3,5-trien-2-ol

C7H8F2O2 — CID 144733771

IUPAC(3Z)-3,4-difluoro-5-methoxyhexa-1,3,5-trien-2-ol
SMILESC=C(O)/C(F)=C(/F)C(=C)OC
InChIInChI=1S/C7H8F2O2/c1-4(10)6(8)7(9)5(2)11-3/h10H,1-2H2,3H3/b7-6-
InChIKeyKOEBTIINLIGYHI-SREVYHEPSA-N
MW162.13 g/mol
LogP2.37
Rot. Bonds3

About (3Z)-3,4-difluoro-5-methoxyhexa-1,3,5-trien-2-ol

(3Z)-3,4-difluoro-5-methoxyhexa-1,3,5-trien-2-ol (PubChem CID 144733771) has the molecular formula C7H8F2O2 and a molecular weight of 162.13 g/mol. Its IUPAC name is (3Z)-3,4-difluoro-5-methoxyhexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z)-3,4-difluoro-5-methoxyhexa-1,3,5-trien-2-ol
PubChem CID144733771
Molecular FormulaC7H8F2O2
Molecular Weight162.13 g/mol
Exact Mass162.05
IUPAC Name(3Z)-3,4-difluoro-5-methoxyhexa-1,3,5-trien-2-ol
SMILESC=C(O)/C(F)=C(/F)C(=C)OC
InChIInChI=1S/C7H8F2O2/c1-4(10)6(8)7(9)5(2)11-3/h10H,1-2H2,3H3/b7-6-
InChIKeyKOEBTIINLIGYHI-SREVYHEPSA-N
XLogP2.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.13
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3,4-difluoro-5-methoxyhexa-1,3,5-trien-2-ol?
The IUPAC name of (3Z)-3,4-difluoro-5-methoxyhexa-1,3,5-trien-2-ol (CID 144733771) is (3Z)-3,4-difluoro-5-methoxyhexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z)-3,4-difluoro-5-methoxyhexa-1,3,5-trien-2-ol?
The canonical SMILES for (3Z)-3,4-difluoro-5-methoxyhexa-1,3,5-trien-2-ol is C=C(O)/C(F)=C(/F)C(=C)OC.
What is the InChIKey of (3Z)-3,4-difluoro-5-methoxyhexa-1,3,5-trien-2-ol?
The InChIKey is KOEBTIINLIGYHI-SREVYHEPSA-N. The full InChI is InChI=1S/C7H8F2O2/c1-4(10)6(8)7(9)5(2)11-3/h10H,1-2H2,3H3/b7-6-.
What are the key properties of (3Z)-3,4-difluoro-5-methoxyhexa-1,3,5-trien-2-ol?
(3Z)-3,4-difluoro-5-methoxyhexa-1,3,5-trien-2-ol has a molecular weight of 162.13 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3,4-difluoro-5-methoxyhexa-1,3,5-trien-2-ol is sourced from PubChem (CID 144733771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).