3-(fluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride

C6H11ClFNO2 — CID 155822684

IUPAC3-(fluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(CF)CCNC1
InChIInChI=1S/C6H10FNO2.ClH/c7-3-6(5(9)10)1-2-8-4-6;/h8H,1-4H2,(H,9,10);1H
InChIKeyCIDYXTIWTHMSIP-UHFFFAOYSA-N
MW183.61 g/mol
LogP0.44
Rot. Bonds2

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

3-(fluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 155822684) has the molecular formula C6H11ClFNO2 and a molecular weight of 183.61 g/mol. Its IUPAC name is 3-(fluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(fluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID155822684
Molecular FormulaC6H11ClFNO2
Molecular Weight183.61 g/mol
Exact Mass183.05
IUPAC Name3-(fluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(CF)CCNC1
InChIInChI=1S/C6H10FNO2.ClH/c7-3-6(5(9)10)1-2-8-4-6;/h8H,1-4H2,(H,9,10);1H
InChIKeyCIDYXTIWTHMSIP-UHFFFAOYSA-N
XLogP0.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.61
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Pyrrolidinecarboxylic acid
CID 3034645
(3R)-3-Pyrrolidinecarboxylic acid
CID 1501970
rac-(3R,4R)-4-methylpyrrolidine-3-carboxylic acid
CID 1512685
4,4-Dimethyl-pyrrolidine-3-carboxylic acid
CID 5103410
(3R)-pyrrolidine-3-carboxylic acid hydrochloride
CID 43810916
Pyrrolidine-3-carboxylic acid hydrochloride
CID 44890816
3-(Trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 45026867
3-(Trifluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 47002768
4,4-Dimethylpyrrolidine-3-carboxylic acid hydrochloride
CID 56763825
Methyl 3-fluoropyrrolidine-3-carboxylate hydrochloride
CID 73994692
(3S,4S)-4-(Trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 90424808
3-Fluoropyrrolidine-3-carboxylic acid
CID 55300604

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 3-(fluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride (CID 155822684) is 3-(fluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(fluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(fluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1(CF)CCNC1.
What is the InChIKey of 3-(fluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is CIDYXTIWTHMSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2.ClH/c7-3-6(5(9)10)1-2-8-4-6;/h8H,1-4H2,(H,9,10);1H.
What are the key properties of 3-(fluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
3-(fluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 183.61 g/mol, XLogP of 0.44, 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;hydrochloride is sourced from PubChem (CID 155822684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).