3-fluoro-3-pyrrolidin-3-ylbutanoic acid

C8H14FNO2 — CID 105436039

IUPAC3-fluoro-3-pyrrolidin-3-ylbutanoic acid
SMILESCC(F)(CC(=O)O)C1CCNC1
InChIInChI=1S/C8H14FNO2/c1-8(9,4-7(11)12)6-2-3-10-5-6/h6,10H,2-5H2,1H3,(H,11,12)
InChIKeyKXTZLHRWDVEJNT-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.80
Rot. Bonds3

About 3-fluoro-3-pyrrolidin-3-ylbutanoic acid

3-fluoro-3-pyrrolidin-3-ylbutanoic acid (PubChem CID 105436039) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 3-fluoro-3-pyrrolidin-3-ylbutanoic acid.

Molecular Properties

Compound Name3-fluoro-3-pyrrolidin-3-ylbutanoic acid
PubChem CID105436039
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name3-fluoro-3-pyrrolidin-3-ylbutanoic acid
SMILESCC(F)(CC(=O)O)C1CCNC1
InChIInChI=1S/C8H14FNO2/c1-8(9,4-7(11)12)6-2-3-10-5-6/h6,10H,2-5H2,1H3,(H,11,12)
InChIKeyKXTZLHRWDVEJNT-UHFFFAOYSA-N
XLogP0.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-3-pyrrolidin-3-ylbutanoic acid 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

2-methyl-2-pyrrolidin-3-ylpropanoic acid
CID 82652022
(3R)-3-(1,1-difluoroethyl)pyrrolidine
CID 154810011
3-fluoro-N-methyl-3-pyrrolidin-3-ylbutan-1-amine
CID 105435897
(2R)-2-fluoro-2-[(3S)-piperidin-3-yl]propan-1-ol
CID 171842824
methyl 2-methyl-2-[(3S)-pyrrolidin-3-yl]propanoate;2,2,2-trifluoroacetic acid
CID 175791959
4-(1-fluoro-1-pyrrolidin-3-ylethyl)benzoic acid
CID 115042008
3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine
CID 115058342
3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid
CID 66003959
2-methyl-2-pyrrolidin-3-ylpropanamide;hydrochloride
CID 118918407
3-(2-fluoro-1-methoxypropan-2-yl)piperidine
CID 112564846
2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane
CID 160675736
2-pyrrolidin-3-ylbutan-2-ol
CID 105428542

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-pyrrolidin-3-ylbutanoic acid?
The IUPAC name of 3-fluoro-3-pyrrolidin-3-ylbutanoic acid (CID 105436039) is 3-fluoro-3-pyrrolidin-3-ylbutanoic acid.
What is the SMILES notation for 3-fluoro-3-pyrrolidin-3-ylbutanoic acid?
The canonical SMILES for 3-fluoro-3-pyrrolidin-3-ylbutanoic acid is CC(F)(CC(=O)O)C1CCNC1.
What is the InChIKey of 3-fluoro-3-pyrrolidin-3-ylbutanoic acid?
The InChIKey is KXTZLHRWDVEJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-8(9,4-7(11)12)6-2-3-10-5-6/h6,10H,2-5H2,1H3,(H,11,12).
What are the key properties of 3-fluoro-3-pyrrolidin-3-ylbutanoic acid?
3-fluoro-3-pyrrolidin-3-ylbutanoic acid has a molecular weight of 175.20 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-pyrrolidin-3-ylbutanoic acid is sourced from PubChem (CID 105436039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).