carbonic acid;4-fluorobut-1-ene

C5H9FO3 — CID 87326149

IUPACcarbonic acid;4-fluorobut-1-ene
SMILESC=CCCF.O=C(O)O
InChIInChI=1S/C4H7F.CH2O3/c1-2-3-4-5;2-1(3)4/h2H,1,3-4H2;(H2,2,3,4)
InChIKeyDCHRTSICWITYEF-UHFFFAOYSA-N
MW136.12 g/mol
LogP1.75
Rot. Bonds2

About carbonic acid;4-fluorobut-1-ene

carbonic acid;4-fluorobut-1-ene (PubChem CID 87326149) has the molecular formula C5H9FO3 and a molecular weight of 136.12 g/mol. Its IUPAC name is carbonic acid;4-fluorobut-1-ene.

Molecular Properties

Compound Namecarbonic acid;4-fluorobut-1-ene
PubChem CID87326149
Molecular FormulaC5H9FO3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Namecarbonic acid;4-fluorobut-1-ene
SMILESC=CCCF.O=C(O)O
InChIInChI=1S/C4H7F.CH2O3/c1-2-3-4-5;2-1(3)4/h2H,1,3-4H2;(H2,2,3,4)
InChIKeyDCHRTSICWITYEF-UHFFFAOYSA-N
XLogP1.75
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze carbonic acid;4-fluorobut-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

Related Compounds

carbonic acid;fluoroethene;1-fluoropropane
CID 174618380
2-aminoacetic acid;buta-1,3-diene
CID 87205631
1-fluoro-3,3-bis(2-fluoroacetyl)oct-7-ene-2,4-dione
CID 88614750
N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
CID 173029925
carbonic acid;4-methylidenehepta-1,6-diene
CID 88505176
formic acid;hexa-1,5-diene
CID 174904293
benzene;2-but-3-enylpropanedioic acid
CID 174917168
octa-3,7-dienoic acid
CID 71318533
tritriacont-32-enoic acid
CID 54063641
(2S)-2-ethenylhex-5-enoic acid
CID 91757260
(3E)-octa-3,7-dienoic acid
CID 12688314
(2R)-2-ethenylhex-5-enoic acid
CID 91757207

Frequently Asked Questions

What is the IUPAC name of carbonic acid;4-fluorobut-1-ene?
The IUPAC name of carbonic acid;4-fluorobut-1-ene (CID 87326149) is carbonic acid;4-fluorobut-1-ene.
What is the SMILES notation for carbonic acid;4-fluorobut-1-ene?
The canonical SMILES for carbonic acid;4-fluorobut-1-ene is C=CCCF.O=C(O)O.
What is the InChIKey of carbonic acid;4-fluorobut-1-ene?
The InChIKey is DCHRTSICWITYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F.CH2O3/c1-2-3-4-5;2-1(3)4/h2H,1,3-4H2;(H2,2,3,4).
What are the key properties of carbonic acid;4-fluorobut-1-ene?
carbonic acid;4-fluorobut-1-ene has a molecular weight of 136.12 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;4-fluorobut-1-ene is sourced from PubChem (CID 87326149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).