2-cyclopropylidene-2-fluoroacetic acid

C5H5FO2 — CID 103439559

IUPAC2-cyclopropylidene-2-fluoroacetic acid
SMILESO=C(O)C(F)=C1CC1
InChIInChI=1S/C5H5FO2/c6-4(5(7)8)3-1-2-3/h1-2H2,(H,7,8)
InChIKeyOLHDOZSVWQVIEO-UHFFFAOYSA-N
MW116.09 g/mol
LogP1.09
Rot. Bonds1

About 2-cyclopropylidene-2-fluoroacetic acid

2-cyclopropylidene-2-fluoroacetic acid (PubChem CID 103439559) has the molecular formula C5H5FO2 and a molecular weight of 116.09 g/mol. Its IUPAC name is 2-cyclopropylidene-2-fluoroacetic acid.

Molecular Properties

Compound Name2-cyclopropylidene-2-fluoroacetic acid
PubChem CID103439559
Molecular FormulaC5H5FO2
Molecular Weight116.09 g/mol
Exact Mass116.03
IUPAC Name2-cyclopropylidene-2-fluoroacetic acid
SMILESO=C(O)C(F)=C1CC1
InChIInChI=1S/C5H5FO2/c6-4(5(7)8)3-1-2-3/h1-2H2,(H,7,8)
InChIKeyOLHDOZSVWQVIEO-UHFFFAOYSA-N
XLogP1.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.09
LogP ≤ 51.09
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

2-fluoro-2-piperidin-4-ylideneacetic acid;hydrochloride
CID 146082990
2-(4,4-dimethylcyclohexylidene)-2-fluoroacetic acid
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2-[1-(dimethylcarbamoyl)piperidin-4-ylidene]-2-fluoroacetic acid
CID 83266276
2-(4-ethoxycyclohexylidene)-2-fluoroacetic acid
CID 164651350
2-(1,1-dioxothian-3-ylidene)-2-fluoroacetic acid
CID 79729832
2-fluoro-2-(1-propan-2-ylazepan-4-ylidene)acetic acid
CID 79729168
2-(6-bromo-3,4-dihydro-1H-naphthalen-2-ylidene)-2-fluoroacetic acid
CID 79729545
2-fluoro-2-[3-(trifluoromethyl)cyclohexylidene]acetic acid
CID 79729275
2-(3-ethoxycyclobutylidene)-2-fluoroacetic acid
CID 103161298
1-cyclohexylidene-1-fluoropropan-2-one
CID 12547222
2-(2,2-dimethylcyclopentylidene)-2-fluoroacetic acid
CID 79856610
carbonofluoridic acid
CID 118456839

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylidene-2-fluoroacetic acid?
The IUPAC name of 2-cyclopropylidene-2-fluoroacetic acid (CID 103439559) is 2-cyclopropylidene-2-fluoroacetic acid.
What is the SMILES notation for 2-cyclopropylidene-2-fluoroacetic acid?
The canonical SMILES for 2-cyclopropylidene-2-fluoroacetic acid is O=C(O)C(F)=C1CC1.
What is the InChIKey of 2-cyclopropylidene-2-fluoroacetic acid?
The InChIKey is OLHDOZSVWQVIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FO2/c6-4(5(7)8)3-1-2-3/h1-2H2,(H,7,8).
What are the key properties of 2-cyclopropylidene-2-fluoroacetic acid?
2-cyclopropylidene-2-fluoroacetic acid has a molecular weight of 116.09 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylidene-2-fluoroacetic acid is sourced from PubChem (CID 103439559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).