4-fluoro-2-propanoylcyclopentane-1-carboxylic acid

C9H13FO3 — CID 130417348

IUPAC4-fluoro-2-propanoylcyclopentane-1-carboxylic acid
SMILESCCC(=O)C1CC(F)CC1C(=O)O
InChIInChI=1S/C9H13FO3/c1-2-8(11)6-3-5(10)4-7(6)9(12)13/h5-7H,2-4H2,1H3,(H,12,13)
InChIKeyADQCJWUVIKNNFG-UHFFFAOYSA-N
MW188.20 g/mol
LogP1.41
Rot. Bonds3

About 4-fluoro-2-propanoylcyclopentane-1-carboxylic acid

4-fluoro-2-propanoylcyclopentane-1-carboxylic acid (PubChem CID 130417348) has the molecular formula C9H13FO3 and a molecular weight of 188.20 g/mol. Its IUPAC name is 4-fluoro-2-propanoylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-2-propanoylcyclopentane-1-carboxylic acid
PubChem CID130417348
Molecular FormulaC9H13FO3
Molecular Weight188.20 g/mol
Exact Mass188.08
IUPAC Name4-fluoro-2-propanoylcyclopentane-1-carboxylic acid
SMILESCCC(=O)C1CC(F)CC1C(=O)O
InChIInChI=1S/C9H13FO3/c1-2-8(11)6-3-5(10)4-7(6)9(12)13/h5-7H,2-4H2,1H3,(H,12,13)
InChIKeyADQCJWUVIKNNFG-UHFFFAOYSA-N
XLogP1.41
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propanoylcyclopropane-1-carboxylic acid
CID 68524876
1-[(1S,2R)-2-methylcyclopropyl]propan-1-one
CID 124509499
4-propanoylthiolane-3-carboxylic acid
CID 134192970
1-(4-ethyl-2-propanoylcyclopentyl)propan-1-one
CID 70888817
6-propanoylcyclohex-3-ene-1-carboxylic acid
CID 89112270
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
ethyl 2-propanoylcyclopropane-1-carboxylate
CID 59593706
trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate
CID 67601467
(1R)-2-fluorocyclopropane-1-carboxylic acid
CID 126485045
(1S,2S,4R,5R)-4,5-dimethylcyclohexane-1,2-dicarboxylic acid
CID 124821426
4,5-dipropylcyclohexane-1,2-dicarboxylic acid
CID 58183345
1-(2-methylcyclopentyl)propan-1-one
CID 12930148

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-propanoylcyclopentane-1-carboxylic acid?
The IUPAC name of 4-fluoro-2-propanoylcyclopentane-1-carboxylic acid (CID 130417348) is 4-fluoro-2-propanoylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-2-propanoylcyclopentane-1-carboxylic acid?
The canonical SMILES for 4-fluoro-2-propanoylcyclopentane-1-carboxylic acid is CCC(=O)C1CC(F)CC1C(=O)O.
What is the InChIKey of 4-fluoro-2-propanoylcyclopentane-1-carboxylic acid?
The InChIKey is ADQCJWUVIKNNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO3/c1-2-8(11)6-3-5(10)4-7(6)9(12)13/h5-7H,2-4H2,1H3,(H,12,13).
What are the key properties of 4-fluoro-2-propanoylcyclopentane-1-carboxylic acid?
4-fluoro-2-propanoylcyclopentane-1-carboxylic acid has a molecular weight of 188.20 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-propanoylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 130417348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).