5-fluorohepta-4,6-dien-2-ol

C7H11FO — CID 123543230

IUPAC5-fluorohepta-4,6-dien-2-ol
SMILESC=CC(F)=CCC(C)O
InChIInChI=1S/C7H11FO/c1-3-7(8)5-4-6(2)9/h3,5-6,9H,1,4H2,2H3
InChIKeyJLELKWHXTVWFOW-UHFFFAOYSA-N
MW130.16 g/mol
LogP1.80
Rot. Bonds3

About 5-fluorohepta-4,6-dien-2-ol

5-fluorohepta-4,6-dien-2-ol (PubChem CID 123543230) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is 5-fluorohepta-4,6-dien-2-ol.

Molecular Properties

Compound Name5-fluorohepta-4,6-dien-2-ol
PubChem CID123543230
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name5-fluorohepta-4,6-dien-2-ol
SMILESC=CC(F)=CCC(C)O
InChIInChI=1S/C7H11FO/c1-3-7(8)5-4-6(2)9/h3,5-6,9H,1,4H2,2H3
InChIKeyJLELKWHXTVWFOW-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-fluorohepta-4,6-dien-2-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-hydroxy-2-methylhex-2-enoic acid;prop-2-enoic acid
CID 157146247
but-1-ene;(4E)-5,6-dimethylhepta-4,6-dien-2-ol
CID 142868240
azane;pent-4-en-2-ol
CID 22149561
(Z)-hex-2-ene-2,5-diol
CID 12871463
(2E)-3-fluoro-N,N-dimethylpenta-2,4-dien-1-amine
CID 169181661
(3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene
CID 143772459
(E,5R)-5-hydroxy-2-methylhex-2-enoic acid
CID 55302737
(2R,4E)-hepta-4,6-dien-2-ol
CID 101213551
pent-4-en-2-ol;urea
CID 88650571
ethyl 5-hydroxy-2-prop-2-enoyloxyhex-2-enoate
CID 174469233
ethane;(3Z)-3-fluorohexa-1,3-diene;(E)-3-methylpent-2-ene
CID 143341985
(3E,5Z)-3-fluoro-6,7-dimethylnona-1,3,5-triene
CID 170710017

Frequently Asked Questions

What is the IUPAC name of 5-fluorohepta-4,6-dien-2-ol?
The IUPAC name of 5-fluorohepta-4,6-dien-2-ol (CID 123543230) is 5-fluorohepta-4,6-dien-2-ol.
What is the SMILES notation for 5-fluorohepta-4,6-dien-2-ol?
The canonical SMILES for 5-fluorohepta-4,6-dien-2-ol is C=CC(F)=CCC(C)O.
What is the InChIKey of 5-fluorohepta-4,6-dien-2-ol?
The InChIKey is JLELKWHXTVWFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO/c1-3-7(8)5-4-6(2)9/h3,5-6,9H,1,4H2,2H3.
What are the key properties of 5-fluorohepta-4,6-dien-2-ol?
5-fluorohepta-4,6-dien-2-ol has a molecular weight of 130.16 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorohepta-4,6-dien-2-ol is sourced from PubChem (CID 123543230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).