(5Z)-3,7-difluoroocta-5,7-dien-1-ol

C8H12F2O — CID 88890754

IUPAC(5Z)-3,7-difluoroocta-5,7-dien-1-ol
SMILESC=C(F)/C=C\CC(F)CCO
InChIInChI=1S/C8H12F2O/c1-7(9)3-2-4-8(10)5-6-11/h2-3,8,11H,1,4-6H2/b3-2-
InChIKeyLIOGRRWUDJTKRJ-IHWYPQMZSA-N
MW162.18 g/mol
LogP2.14
Rot. Bonds5

About (5Z)-3,7-difluoroocta-5,7-dien-1-ol

(5Z)-3,7-difluoroocta-5,7-dien-1-ol (PubChem CID 88890754) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is (5Z)-3,7-difluoroocta-5,7-dien-1-ol.

Molecular Properties

Compound Name(5Z)-3,7-difluoroocta-5,7-dien-1-ol
PubChem CID88890754
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(5Z)-3,7-difluoroocta-5,7-dien-1-ol
SMILESC=C(F)/C=C\CC(F)CCO
InChIInChI=1S/C8H12F2O/c1-7(9)3-2-4-8(10)5-6-11/h2-3,8,11H,1,4-6H2/b3-2-
InChIKeyLIOGRRWUDJTKRJ-IHWYPQMZSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-4-fluoropenta-2,4-dien-1-ol
CID 147076442
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(3R)-3-fluoropent-4-en-1-ol
CID 101459116
1-fluoropropane-1,3-diol
CID 91101835
hex-5-ene-1,3-diol
CID 15626312
(6Z)-2,5-difluoro-6-methylnona-1,3,6-triene
CID 142857696
(4E)-2,6-dimethylhepta-4,6-dien-1-ol
CID 130146963
5-(ethylaminomethyl)-3,6-difluorooct-6-en-1-ol
CID 123706605
2-fluoro-3-(hydroxymethyl)pentane-1,5-diol
CID 19812553
6-methyl-3-propan-2-ylhepta-4,6-dien-1-ol
CID 54173872
(2E,4Z)-1,6-difluorohepta-2,4,6-trien-3-ol
CID 88877969
(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-1-amine
CID 144685434

Frequently Asked Questions

What is the IUPAC name of (5Z)-3,7-difluoroocta-5,7-dien-1-ol?
The IUPAC name of (5Z)-3,7-difluoroocta-5,7-dien-1-ol (CID 88890754) is (5Z)-3,7-difluoroocta-5,7-dien-1-ol.
What is the SMILES notation for (5Z)-3,7-difluoroocta-5,7-dien-1-ol?
The canonical SMILES for (5Z)-3,7-difluoroocta-5,7-dien-1-ol is C=C(F)/C=C\CC(F)CCO.
What is the InChIKey of (5Z)-3,7-difluoroocta-5,7-dien-1-ol?
The InChIKey is LIOGRRWUDJTKRJ-IHWYPQMZSA-N. The full InChI is InChI=1S/C8H12F2O/c1-7(9)3-2-4-8(10)5-6-11/h2-3,8,11H,1,4-6H2/b3-2-.
What are the key properties of (5Z)-3,7-difluoroocta-5,7-dien-1-ol?
(5Z)-3,7-difluoroocta-5,7-dien-1-ol has a molecular weight of 162.18 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3,7-difluoroocta-5,7-dien-1-ol is sourced from PubChem (CID 88890754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).