3-fluoroprop-2-ynoate

C3FO2- — CID 102373519

IUPAC3-fluoroprop-2-ynoate
SMILESO=C([O-])C#CF
InChIInChI=1S/C3HFO2/c4-2-1-3(5)6/h(H,5,6)/p-1
InChIKeyCCHIKKLFBIUZKG-UHFFFAOYSA-M
MW87.03 g/mol
LogP-1.33
Rot. Bonds

About 3-fluoroprop-2-ynoate

3-fluoroprop-2-ynoate (PubChem CID 102373519) has the molecular formula C3FO2- and a molecular weight of 87.03 g/mol. Its IUPAC name is 3-fluoroprop-2-ynoate.

Molecular Properties

Compound Name3-fluoroprop-2-ynoate
PubChem CID102373519
Molecular FormulaC3FO2-
Molecular Weight87.03 g/mol
Exact Mass86.99
IUPAC Name3-fluoroprop-2-ynoate
SMILESO=C([O-])C#CF
InChIInChI=1S/C3HFO2/c4-2-1-3(5)6/h(H,5,6)/p-1
InChIKeyCCHIKKLFBIUZKG-UHFFFAOYSA-M
XLogP-1.33
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.03
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoroprop-2-ynoate 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

dilithium;but-2-ynedioate
CID 11457691
4,4-dimethylpent-2-ynoate
CID 53421919
tetralithium;tetracarbonofluoridate
CID 158341218
dilithium;3-[2-(2-carboxylatoethynyl)phenyl]prop-2-ynoate
CID 163323004
4-ethoxy-4-oxobut-2-ynoate
CID 71360575
(5E)-4-oxohepta-2,5-dienedioate
CID 7019184
5-(dimethylamino)pent-2-ynoate
CID 171137579
octa-2,4-diynoate
CID 5247370
azane;tris(dioxouranium(2+));tricarbonate
CID 158080439
(E)-but-2-enedioate
CID 5460307
hexadecasodium;octacarbonate
CID 141056250
bis(gold(3+));tricarbonate
CID 56847861

Frequently Asked Questions

What is the IUPAC name of 3-fluoroprop-2-ynoate?
The IUPAC name of 3-fluoroprop-2-ynoate (CID 102373519) is 3-fluoroprop-2-ynoate.
What is the SMILES notation for 3-fluoroprop-2-ynoate?
The canonical SMILES for 3-fluoroprop-2-ynoate is O=C([O-])C#CF.
What is the InChIKey of 3-fluoroprop-2-ynoate?
The InChIKey is CCHIKKLFBIUZKG-UHFFFAOYSA-M. The full InChI is InChI=1S/C3HFO2/c4-2-1-3(5)6/h(H,5,6)/p-1.
What are the key properties of 3-fluoroprop-2-ynoate?
3-fluoroprop-2-ynoate has a molecular weight of 87.03 g/mol, XLogP of -1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroprop-2-ynoate is sourced from PubChem (CID 102373519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).