3-fluoro-2-methoxy-3,4-dimethylpent-1-ene

C8H15FO — CID 143722182

IUPAC3-fluoro-2-methoxy-3,4-dimethylpent-1-ene
SMILESC=C(OC)C(C)(F)C(C)C
InChIInChI=1S/C8H15FO/c1-6(2)8(4,9)7(3)10-5/h6H,3H2,1-2,4-5H3
InChIKeyUJGWQWSBQUAKDT-UHFFFAOYSA-N
MW146.20 g/mol
LogP2.53
Rot. Bonds3

About 3-fluoro-2-methoxy-3,4-dimethylpent-1-ene

3-fluoro-2-methoxy-3,4-dimethylpent-1-ene (PubChem CID 143722182) has the molecular formula C8H15FO and a molecular weight of 146.20 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-3,4-dimethylpent-1-ene.

Molecular Properties

Compound Name3-fluoro-2-methoxy-3,4-dimethylpent-1-ene
PubChem CID143722182
Molecular FormulaC8H15FO
Molecular Weight146.20 g/mol
Exact Mass146.11
IUPAC Name3-fluoro-2-methoxy-3,4-dimethylpent-1-ene
SMILESC=C(OC)C(C)(F)C(C)C
InChIInChI=1S/C8H15FO/c1-6(2)8(4,9)7(3)10-5/h6H,3H2,1-2,4-5H3
InChIKeyUJGWQWSBQUAKDT-UHFFFAOYSA-N
XLogP2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.20
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-fluoro-2-methoxy-3,4-dimethylpent-1-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxy-3,4-dimethylpent-1-ene?
The IUPAC name of 3-fluoro-2-methoxy-3,4-dimethylpent-1-ene (CID 143722182) is 3-fluoro-2-methoxy-3,4-dimethylpent-1-ene.
What is the SMILES notation for 3-fluoro-2-methoxy-3,4-dimethylpent-1-ene?
The canonical SMILES for 3-fluoro-2-methoxy-3,4-dimethylpent-1-ene is C=C(OC)C(C)(F)C(C)C.
What is the InChIKey of 3-fluoro-2-methoxy-3,4-dimethylpent-1-ene?
The InChIKey is UJGWQWSBQUAKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO/c1-6(2)8(4,9)7(3)10-5/h6H,3H2,1-2,4-5H3.
What are the key properties of 3-fluoro-2-methoxy-3,4-dimethylpent-1-ene?
3-fluoro-2-methoxy-3,4-dimethylpent-1-ene has a molecular weight of 146.20 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxy-3,4-dimethylpent-1-ene is sourced from PubChem (CID 143722182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).