3-fluoro-3-methylpyrrolidine;hydrochloride

C5H11ClFN — CID 71757729

IUPAC3-fluoro-3-methylpyrrolidine;hydrochloride
SMILESCC1(F)CCNC1.Cl
InChIInChI=1S/C5H10FN.ClH/c1-5(6)2-3-7-4-5;/h7H,2-4H2,1H3;1H
InChIKeyLDRLKNIQCYFPMH-UHFFFAOYSA-N
MW139.60 g/mol
LogP1.13
Rot. Bonds

About 3-fluoro-3-methylpyrrolidine;hydrochloride

3-fluoro-3-methylpyrrolidine;hydrochloride (PubChem CID 71757729) has the molecular formula C5H11ClFN and a molecular weight of 139.60 g/mol. Its IUPAC name is 3-fluoro-3-methylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-fluoro-3-methylpyrrolidine;hydrochloride
PubChem CID71757729
Molecular FormulaC5H11ClFN
Molecular Weight139.60 g/mol
Exact Mass139.06
IUPAC Name3-fluoro-3-methylpyrrolidine;hydrochloride
SMILESCC1(F)CCNC1.Cl
InChIInChI=1S/C5H10FN.ClH/c1-5(6)2-3-7-4-5;/h7H,2-4H2,1H3;1H
InChIKeyLDRLKNIQCYFPMH-UHFFFAOYSA-N
XLogP1.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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

Pyrrolidine, 3-fluoro-
CID 3744989
3,3-Dimethylpyrrolidine
CID 14949211
3,3-Difluoropyrrolidine hydrochloride
CID 24903482
(3R)-3-fluoropyrrolidine hydrochloride
CID 2759162
3-Methylpyrrolidine
CID 118158
3-Methylpyrrolidine hydrochloride
CID 12464314
3-(Trifluoromethyl)pyrrolidine hydrochloride
CID 17749759
3-Fluoropyrrolidine hydrochloride
CID 21975228
3,4-Dimethylpyrrolidine hydrochloride
CID 23091077
(3S)-3-methylpyrrolidine hydrochloride
CID 44828593
(3R)-3-Methylpyrrolidine--hydrogen chloride (1/1)
CID 44828594
3,3-Dimethylpyrrolidine hydrochloride
CID 46736057

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methylpyrrolidine;hydrochloride?
The IUPAC name of 3-fluoro-3-methylpyrrolidine;hydrochloride (CID 71757729) is 3-fluoro-3-methylpyrrolidine;hydrochloride.
What is the SMILES notation for 3-fluoro-3-methylpyrrolidine;hydrochloride?
The canonical SMILES for 3-fluoro-3-methylpyrrolidine;hydrochloride is CC1(F)CCNC1.Cl.
What is the InChIKey of 3-fluoro-3-methylpyrrolidine;hydrochloride?
The InChIKey is LDRLKNIQCYFPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN.ClH/c1-5(6)2-3-7-4-5;/h7H,2-4H2,1H3;1H.
What are the key properties of 3-fluoro-3-methylpyrrolidine;hydrochloride?
3-fluoro-3-methylpyrrolidine;hydrochloride has a molecular weight of 139.60 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methylpyrrolidine;hydrochloride is sourced from PubChem (CID 71757729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).