(3E)-3-(fluoromethylidene)cyclopropene-1-carboxylic acid

C5H3FO2 — CID 139242645

IUPAC(3E)-3-(fluoromethylidene)cyclopropene-1-carboxylic acid
SMILESO=C(O)C1=C/C1=C\F
InChIInChI=1S/C5H3FO2/c6-2-3-1-4(3)5(7)8/h1-2H,(H,7,8)/b3-2+
InChIKeyCMXQIZIEQVZODQ-NSCUHMNNSA-N
MW114.07 g/mol
LogP0.86
Rot. Bonds1

About (3E)-3-(fluoromethylidene)cyclopropene-1-carboxylic acid

(3E)-3-(fluoromethylidene)cyclopropene-1-carboxylic acid (PubChem CID 139242645) has the molecular formula C5H3FO2 and a molecular weight of 114.07 g/mol. Its IUPAC name is (3E)-3-(fluoromethylidene)cyclopropene-1-carboxylic acid.

Molecular Properties

Compound Name(3E)-3-(fluoromethylidene)cyclopropene-1-carboxylic acid
PubChem CID139242645
Molecular FormulaC5H3FO2
Molecular Weight114.07 g/mol
Exact Mass114.01
IUPAC Name(3E)-3-(fluoromethylidene)cyclopropene-1-carboxylic acid
SMILESO=C(O)C1=C/C1=C\F
InChIInChI=1S/C5H3FO2/c6-2-3-1-4(3)5(7)8/h1-2H,(H,7,8)/b3-2+
InChIKeyCMXQIZIEQVZODQ-NSCUHMNNSA-N
XLogP0.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.07
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(fluoromethylidene)cyclopropene-1-carboxylic acid?
The IUPAC name of (3E)-3-(fluoromethylidene)cyclopropene-1-carboxylic acid (CID 139242645) is (3E)-3-(fluoromethylidene)cyclopropene-1-carboxylic acid.
What is the SMILES notation for (3E)-3-(fluoromethylidene)cyclopropene-1-carboxylic acid?
The canonical SMILES for (3E)-3-(fluoromethylidene)cyclopropene-1-carboxylic acid is O=C(O)C1=C/C1=C\F.
What is the InChIKey of (3E)-3-(fluoromethylidene)cyclopropene-1-carboxylic acid?
The InChIKey is CMXQIZIEQVZODQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H3FO2/c6-2-3-1-4(3)5(7)8/h1-2H,(H,7,8)/b3-2+.
What are the key properties of (3E)-3-(fluoromethylidene)cyclopropene-1-carboxylic acid?
(3E)-3-(fluoromethylidene)cyclopropene-1-carboxylic acid has a molecular weight of 114.07 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(fluoromethylidene)cyclopropene-1-carboxylic acid is sourced from PubChem (CID 139242645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).