(E)-4-fluoropent-2-enoic acid

C5H7FO2 — CID 87509994

IUPAC(E)-4-fluoropent-2-enoic acid
SMILESCC(F)/C=C/C(=O)O
InChIInChI=1S/C5H7FO2/c1-4(6)2-3-5(7)8/h2-4H,1H3,(H,7,8)/b3-2+
InChIKeyIQBRINGAJQJPHZ-NSCUHMNNSA-N
MW118.11 g/mol
LogP0.99
Rot. Bonds2

About (E)-4-fluoropent-2-enoic acid

(E)-4-fluoropent-2-enoic acid (PubChem CID 87509994) has the molecular formula C5H7FO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is (E)-4-fluoropent-2-enoic acid.

Molecular Properties

Compound Name(E)-4-fluoropent-2-enoic acid
PubChem CID87509994
Molecular FormulaC5H7FO2
Molecular Weight118.11 g/mol
Exact Mass118.04
IUPAC Name(E)-4-fluoropent-2-enoic acid
SMILESCC(F)/C=C/C(=O)O
InChIInChI=1S/C5H7FO2/c1-4(6)2-3-5(7)8/h2-4H,1H3,(H,7,8)/b3-2+
InChIKeyIQBRINGAJQJPHZ-NSCUHMNNSA-N
XLogP0.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E,4S)-4-aminopent-2-enoic acid;hydrochloride
CID 87478864
(2E,5E)-4-[(E)-2-carboxyethenyl]hepta-2,5-dienedioic acid
CID 59008552
(Z)-but-2-enedioic acid;2-methylpropanoic acid
CID 175222424
(2E,4S,5R,6E)-4,5-dihydroxyocta-2,6-dienedioic acid
CID 165355300
(E)-4-methylhex-2-enedioic acid
CID 102597366
(2E)-4,5-dimethylhepta-2,6-dienoic acid
CID 139530210
4-ethylhepta-2,5-dienedioic acid
CID 54361689
(E)-4-[methyl(propan-2-yl)amino]pent-2-enoic acid
CID 87178682
5,5,5-trifluoro-4-(trifluoromethyl)pent-2-enoic acid
CID 57006239
(Z)-but-2-enedioic acid;2-hydroxypropanoic acid
CID 87151083
bis((Z)-but-2-enedioic acid);2-hydroxypropanoic acid
CID 172820992
4,4-dibromobut-2-enoic acid
CID 175534024

Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoropent-2-enoic acid?
The IUPAC name of (E)-4-fluoropent-2-enoic acid (CID 87509994) is (E)-4-fluoropent-2-enoic acid.
What is the SMILES notation for (E)-4-fluoropent-2-enoic acid?
The canonical SMILES for (E)-4-fluoropent-2-enoic acid is CC(F)/C=C/C(=O)O.
What is the InChIKey of (E)-4-fluoropent-2-enoic acid?
The InChIKey is IQBRINGAJQJPHZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H7FO2/c1-4(6)2-3-5(7)8/h2-4H,1H3,(H,7,8)/b3-2+.
What are the key properties of (E)-4-fluoropent-2-enoic acid?
(E)-4-fluoropent-2-enoic acid has a molecular weight of 118.11 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoropent-2-enoic acid is sourced from PubChem (CID 87509994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).