(E)-3-fluorooct-2-en-1-ol

C8H15FO — CID 138375696

IUPAC(E)-3-fluorooct-2-en-1-ol
SMILESCCCCC/C(F)=C\CO
InChIInChI=1S/C8H15FO/c1-2-3-4-5-8(9)6-7-10/h6,10H,2-5,7H2,1H3/b8-6+
InChIKeyNBJMTIYNSDYNLQ-SOFGYWHQSA-N
MW146.21 g/mol
LogP2.41
Rot. Bonds5

About (E)-3-fluorooct-2-en-1-ol

(E)-3-fluorooct-2-en-1-ol (PubChem CID 138375696) has the molecular formula C8H15FO and a molecular weight of 146.21 g/mol. Its IUPAC name is (E)-3-fluorooct-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-fluorooct-2-en-1-ol
PubChem CID138375696
Molecular FormulaC8H15FO
Molecular Weight146.21 g/mol
Exact Mass146.11
IUPAC Name(E)-3-fluorooct-2-en-1-ol
SMILESCCCCC/C(F)=C\CO
InChIInChI=1S/C8H15FO/c1-2-3-4-5-8(9)6-7-10/h6,10H,2-5,7H2,1H3/b8-6+
InChIKeyNBJMTIYNSDYNLQ-SOFGYWHQSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-fluorooct-2-en-1-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

2-Octen-1-ol, (2E)-
CID 5318599
2-Nonen-1-ol, (2E)-
CID 5364941
2-Undecen-1-ol, (2E)-
CID 5365004
2-Decenol, (2E)-
CID 5364942
2,4-Decadien-1-ol, (2E,4E)-
CID 5362696
2-Nonen-1-ol, (2Z)-
CID 5365027
Oct-2-en-1-ol
CID 29060
2-Heptenol
CID 5318017
2-Decen-1-ol
CID 87630
2-Octen-1-ol, (2Z)-
CID 5364959
2-Tridecen-1-ol, (2E)-
CID 5364949
Undec-2-enol
CID 61968

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluorooct-2-en-1-ol?
The IUPAC name of (E)-3-fluorooct-2-en-1-ol (CID 138375696) is (E)-3-fluorooct-2-en-1-ol.
What is the SMILES notation for (E)-3-fluorooct-2-en-1-ol?
The canonical SMILES for (E)-3-fluorooct-2-en-1-ol is CCCCC/C(F)=C\CO.
What is the InChIKey of (E)-3-fluorooct-2-en-1-ol?
The InChIKey is NBJMTIYNSDYNLQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H15FO/c1-2-3-4-5-8(9)6-7-10/h6,10H,2-5,7H2,1H3/b8-6+.
What are the key properties of (E)-3-fluorooct-2-en-1-ol?
(E)-3-fluorooct-2-en-1-ol has a molecular weight of 146.21 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluorooct-2-en-1-ol is sourced from PubChem (CID 138375696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).