(4S)-3,3-difluoroocta-1,7-dien-4-ol

C8H12F2O — CID 134300053

IUPAC(4S)-3,3-difluoroocta-1,7-dien-4-ol
SMILESC=CCC[C@H](O)C(F)(F)C=C
InChIInChI=1S/C8H12F2O/c1-3-5-6-7(11)8(9,10)4-2/h3-4,7,11H,1-2,5-6H2/t7-/m0/s1
InChIKeyPKJKSGYHQQXVCJ-ZETCQYMHSA-N
MW162.18 g/mol
LogP2.13
Rot. Bonds5

About (4S)-3,3-difluoroocta-1,7-dien-4-ol

(4S)-3,3-difluoroocta-1,7-dien-4-ol (PubChem CID 134300053) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is (4S)-3,3-difluoroocta-1,7-dien-4-ol.

Molecular Properties

Compound Name(4S)-3,3-difluoroocta-1,7-dien-4-ol
PubChem CID134300053
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(4S)-3,3-difluoroocta-1,7-dien-4-ol
SMILESC=CCC[C@H](O)C(F)(F)C=C
InChIInChI=1S/C8H12F2O/c1-3-5-6-7(11)8(9,10)4-2/h3-4,7,11H,1-2,5-6H2/t7-/m0/s1
InChIKeyPKJKSGYHQQXVCJ-ZETCQYMHSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4S)-3,3-difluoroocta-1,7-dien-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5,5-Trifluoropent-1-en-4-ol
CID 10909642
1-Fluorooct-7-en-2-ol
CID 12024928
4,4,5,5-Tetrafluorohept-6-en-3-ol
CID 101778190
5,5-Difluoroocta-1,7-diene-3,4-diol
CID 134856254
(3R)-1,1-difluorohept-6-ene-1,3-diol;rutherfordium
CID 134856462
(Z)-1-fluorohept-1-en-4-ol
CID 134863108
(4R)-octa-1,7-dien-4-ol
CID 12835964
(4S)-Octa-1,7-dien-4-ol
CID 130122094
1,7-Octadien-4-ol
CID 11804762
(2S,3S)-1,1-difluorohept-6-ene-2,3-diol
CID 25242735
(4S)-3,3-difluorooct-1-en-4-ol
CID 76764334
1,1,1-Trifluoro-5-hexene-2-ol
CID 10920719

Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-difluoroocta-1,7-dien-4-ol?
The IUPAC name of (4S)-3,3-difluoroocta-1,7-dien-4-ol (CID 134300053) is (4S)-3,3-difluoroocta-1,7-dien-4-ol.
What is the SMILES notation for (4S)-3,3-difluoroocta-1,7-dien-4-ol?
The canonical SMILES for (4S)-3,3-difluoroocta-1,7-dien-4-ol is C=CCC[C@H](O)C(F)(F)C=C.
What is the InChIKey of (4S)-3,3-difluoroocta-1,7-dien-4-ol?
The InChIKey is PKJKSGYHQQXVCJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12F2O/c1-3-5-6-7(11)8(9,10)4-2/h3-4,7,11H,1-2,5-6H2/t7-/m0/s1.
What are the key properties of (4S)-3,3-difluoroocta-1,7-dien-4-ol?
(4S)-3,3-difluoroocta-1,7-dien-4-ol has a molecular weight of 162.18 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-difluoroocta-1,7-dien-4-ol is sourced from PubChem (CID 134300053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).