2-(fluoromethoxy)prop-1-ene

C4H7FO — CID 59171280

IUPAC2-(fluoromethoxy)prop-1-ene
SMILESC=C(C)OCF
InChIInChI=1S/C4H7FO/c1-4(2)6-3-5/h1,3H2,2H3
InChIKeyKUKBGRPOSPEJRB-UHFFFAOYSA-N
MW90.10 g/mol
LogP1.46
Rot. Bonds2

About 2-(fluoromethoxy)prop-1-ene

2-(fluoromethoxy)prop-1-ene (PubChem CID 59171280) has the molecular formula C4H7FO and a molecular weight of 90.10 g/mol. Its IUPAC name is 2-(fluoromethoxy)prop-1-ene.

Molecular Properties

Compound Name2-(fluoromethoxy)prop-1-ene
PubChem CID59171280
Molecular FormulaC4H7FO
Molecular Weight90.10 g/mol
Exact Mass90.05
IUPAC Name2-(fluoromethoxy)prop-1-ene
SMILESC=C(C)OCF
InChIInChI=1S/C4H7FO/c1-4(2)6-3-5/h1,3H2,2H3
InChIKeyKUKBGRPOSPEJRB-UHFFFAOYSA-N
XLogP1.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.10
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(fluoromethoxy)prop-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 2-(fluoromethoxy)prop-1-ene?
The IUPAC name of 2-(fluoromethoxy)prop-1-ene (CID 59171280) is 2-(fluoromethoxy)prop-1-ene.
What is the SMILES notation for 2-(fluoromethoxy)prop-1-ene?
The canonical SMILES for 2-(fluoromethoxy)prop-1-ene is C=C(C)OCF.
What is the InChIKey of 2-(fluoromethoxy)prop-1-ene?
The InChIKey is KUKBGRPOSPEJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO/c1-4(2)6-3-5/h1,3H2,2H3.
What are the key properties of 2-(fluoromethoxy)prop-1-ene?
2-(fluoromethoxy)prop-1-ene has a molecular weight of 90.10 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethoxy)prop-1-ene is sourced from PubChem (CID 59171280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).