3-(fluoromethyl)pyrrolidine-3-carboxylic acid

C6H10FNO2 — CID 19691526

IUPAC3-(fluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(CF)CCNC1
InChIInChI=1S/C6H10FNO2/c7-3-6(5(9)10)1-2-8-4-6/h8H,1-4H2,(H,9,10)
InChIKeyKBRVKMHENNBCIY-UHFFFAOYSA-N
MW147.15 g/mol
LogP0.02
Rot. Bonds2

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

3-(fluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 19691526) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is 3-(fluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(fluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID19691526
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name3-(fluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(CF)CCNC1
InChIInChI=1S/C6H10FNO2/c7-3-6(5(9)10)1-2-8-4-6/h8H,1-4H2,(H,9,10)
InChIKeyKBRVKMHENNBCIY-UHFFFAOYSA-N
XLogP0.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-(fluoromethyl)pyrrolidine-3-carboxylic acid (CID 19691526) is 3-(fluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-(fluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-(fluoromethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1(CF)CCNC1.
What is the InChIKey of 3-(fluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is KBRVKMHENNBCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c7-3-6(5(9)10)1-2-8-4-6/h8H,1-4H2,(H,9,10).
What are the key properties of 3-(fluoromethyl)pyrrolidine-3-carboxylic acid?
3-(fluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 147.15 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 19691526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).