1-(fluoromethyl)pyrrolidine-3-carboxylic acid

C6H10FNO2 — CID 67043464

IUPAC1-(fluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CF)C1
InChIInChI=1S/C6H10FNO2/c7-4-8-2-1-5(3-8)6(9)10/h5H,1-4H2,(H,9,10)
InChIKeyDAXSAZORVOSPSD-UHFFFAOYSA-N
MW147.15 g/mol
LogP0.32
Rot. Bonds2

About 1-(fluoromethyl)pyrrolidine-3-carboxylic acid

1-(fluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 67043464) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is 1-(fluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(fluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID67043464
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name1-(fluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CF)C1
InChIInChI=1S/C6H10FNO2/c7-4-8-2-1-5(3-8)6(9)10/h5H,1-4H2,(H,9,10)
InChIKeyDAXSAZORVOSPSD-UHFFFAOYSA-N
XLogP0.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-Methylpyrrolidine-3-carboxylic acid
CID 322598
1-Acetylpyrrolidine-3-carboxylic acid
CID 22117928
5-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
CID 24704733
1-Methylpyrrolidine-3-carboxylic acid hydrochloride
CID 42958928
1-Ethylpyrrolidine-3-carboxylic acid hydrochloride
CID 137318666
1-Hydroxypyrrolidine-3-carboxylic acid
CID 53983521
3-Fluoropyrrolidine-3-carboxylic acid
CID 55300604
(3r,4r)-1-(2,2-Difluoroethyl)pyrrolidine-3,4-dicarboxylic acid
CID 59800159
1-(2,2-Difluoroethyl)pyrrolidine-3,4-dicarboxylic acid
CID 74383201
1-Methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708735
1-(2,2,2-Trifluoroethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 91647567
1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride, Mixture of diastereomers
CID 122236427

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(fluoromethyl)pyrrolidine-3-carboxylic acid (CID 67043464) is 1-(fluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(fluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(fluoromethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(CF)C1.
What is the InChIKey of 1-(fluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is DAXSAZORVOSPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c7-4-8-2-1-5(3-8)6(9)10/h5H,1-4H2,(H,9,10).
What are the key properties of 1-(fluoromethyl)pyrrolidine-3-carboxylic acid?
1-(fluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 147.15 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 67043464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).