(2S)-2-(fluoromethyl)pyrrolidine;hydrochloride

C5H11ClFN — CID 53346549

IUPAC(2S)-2-(fluoromethyl)pyrrolidine;hydrochloride
SMILESCl.FC[C@@H]1CCCN1
InChIInChI=1S/C5H10FN.ClH/c6-4-5-2-1-3-7-5;/h5,7H,1-4H2;1H/t5-;/m0./s1
InChIKeyAUADADXQUIBHDA-JEDNCBNOSA-N
MW139.60 g/mol
LogP1.13
Rot. Bonds1

About (2S)-2-(fluoromethyl)pyrrolidine;hydrochloride

(2S)-2-(fluoromethyl)pyrrolidine;hydrochloride (PubChem CID 53346549) has the molecular formula C5H11ClFN and a molecular weight of 139.60 g/mol. Its IUPAC name is (2S)-2-(fluoromethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(fluoromethyl)pyrrolidine;hydrochloride
PubChem CID53346549
Molecular FormulaC5H11ClFN
Molecular Weight139.60 g/mol
Exact Mass139.06
IUPAC Name(2S)-2-(fluoromethyl)pyrrolidine;hydrochloride
SMILESCl.FC[C@@H]1CCCN1
InChIInChI=1S/C5H10FN.ClH/c6-4-5-2-1-3-7-5;/h5,7H,1-4H2;1H/t5-;/m0./s1
InChIKeyAUADADXQUIBHDA-JEDNCBNOSA-N
XLogP1.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.60
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-2-Methylpyrrolidine
CID 641544
2-Methylpyrrolidine
CID 13003
2,5-Dimethylpyrrolidine
CID 96034
2,5-Dimethylpyrrolidine, (2R,5R)-
CID 641767
(2S)-2-methylpyrrolidine
CID 6999702
cis-2,5-Dimethylpyrrolidine
CID 5324511
2-(Trifluoromethyl)pyrrolidine
CID 2782839
(2S)-2-(trifluoromethyl)pyrrolidine
CID 2782840
(3R)-3-fluoropyrrolidine hydrochloride
CID 2759162
(2R)-2-(Trifluoromethyl)pyrrolidine
CID 7015082
(2R,5R)-2,5-dimethylpyrrolidine hydrochloride
CID 12268509
2-Ethylpyrrolidine
CID 4993465

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(fluoromethyl)pyrrolidine;hydrochloride?
The IUPAC name of (2S)-2-(fluoromethyl)pyrrolidine;hydrochloride (CID 53346549) is (2S)-2-(fluoromethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for (2S)-2-(fluoromethyl)pyrrolidine;hydrochloride?
The canonical SMILES for (2S)-2-(fluoromethyl)pyrrolidine;hydrochloride is Cl.FC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(fluoromethyl)pyrrolidine;hydrochloride?
The InChIKey is AUADADXQUIBHDA-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H10FN.ClH/c6-4-5-2-1-3-7-5;/h5,7H,1-4H2;1H/t5-;/m0./s1.
What are the key properties of (2S)-2-(fluoromethyl)pyrrolidine;hydrochloride?
(2S)-2-(fluoromethyl)pyrrolidine;hydrochloride has a molecular weight of 139.60 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(fluoromethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 53346549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).