3,3-difluoro-4-methylpyrrolidine;hydrochloride

C5H10ClF2N — CID 84716657

IUPAC3,3-difluoro-4-methylpyrrolidine;hydrochloride
SMILESCC1CNCC1(F)F.Cl
InChIInChI=1S/C5H9F2N.ClH/c1-4-2-8-3-5(4,6)7;/h4,8H,2-3H2,1H3;1H
InChIKeyJMWSIBONXMQXLU-UHFFFAOYSA-N
MW157.59 g/mol
LogP1.28
Rot. Bonds

About 3,3-difluoro-4-methylpyrrolidine;hydrochloride

3,3-difluoro-4-methylpyrrolidine;hydrochloride (PubChem CID 84716657) has the molecular formula C5H10ClF2N and a molecular weight of 157.59 g/mol. Its IUPAC name is 3,3-difluoro-4-methylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name3,3-difluoro-4-methylpyrrolidine;hydrochloride
PubChem CID84716657
Molecular FormulaC5H10ClF2N
Molecular Weight157.59 g/mol
Exact Mass157.05
IUPAC Name3,3-difluoro-4-methylpyrrolidine;hydrochloride
SMILESCC1CNCC1(F)F.Cl
InChIInChI=1S/C5H9F2N.ClH/c1-4-2-8-3-5(4,6)7;/h4,8H,2-3H2,1H3;1H
InChIKeyJMWSIBONXMQXLU-UHFFFAOYSA-N
XLogP1.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.59
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Difluoropyrrolidine hydrochloride
CID 24903482
3-Methylpyrrolidine
CID 118158
3-Methylpyrrolidine hydrochloride
CID 12464314
3-(Trifluoromethyl)pyrrolidine hydrochloride
CID 17749759
3,4-Dimethylpyrrolidine hydrochloride
CID 23091077
(3S)-3-methylpyrrolidine hydrochloride
CID 44828593
(3R)-3-Methylpyrrolidine--hydrogen chloride (1/1)
CID 44828594
3-(2,2,2-Trifluoroethyl)pyrrolidine hydrochloride
CID 50988606
3-(Difluoromethyl)pyrrolidine hydrochloride
CID 71755614
3-Fluoro-3-methylpyrrolidine hydrochloride
CID 71757729
3-(Fluoromethyl)pyrrolidine hydrochloride
CID 84716215
(R)-3-(Fluoromethyl)pyrrolidine hydrochloride
CID 89619639

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methylpyrrolidine;hydrochloride?
The IUPAC name of 3,3-difluoro-4-methylpyrrolidine;hydrochloride (CID 84716657) is 3,3-difluoro-4-methylpyrrolidine;hydrochloride.
What is the SMILES notation for 3,3-difluoro-4-methylpyrrolidine;hydrochloride?
The canonical SMILES for 3,3-difluoro-4-methylpyrrolidine;hydrochloride is CC1CNCC1(F)F.Cl.
What is the InChIKey of 3,3-difluoro-4-methylpyrrolidine;hydrochloride?
The InChIKey is JMWSIBONXMQXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.ClH/c1-4-2-8-3-5(4,6)7;/h4,8H,2-3H2,1H3;1H.
What are the key properties of 3,3-difluoro-4-methylpyrrolidine;hydrochloride?
3,3-difluoro-4-methylpyrrolidine;hydrochloride has a molecular weight of 157.59 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methylpyrrolidine;hydrochloride is sourced from PubChem (CID 84716657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).