3-(difluoromethyl)pyrrolidine;hydrochloride

C5H10ClF2N — CID 71755614

IUPAC3-(difluoromethyl)pyrrolidine;hydrochloride
SMILESCl.FC(F)C1CCNC1
InChIInChI=1S/C5H9F2N.ClH/c6-5(7)4-1-2-8-3-4;/h4-5,8H,1-3H2;1H
InChIKeyKLYIIIVFEGRMJI-UHFFFAOYSA-N
MW157.59 g/mol
LogP1.28
Rot. Bonds1

About 3-(difluoromethyl)pyrrolidine;hydrochloride

3-(difluoromethyl)pyrrolidine;hydrochloride (PubChem CID 71755614) has the molecular formula C5H10ClF2N and a molecular weight of 157.59 g/mol. Its IUPAC name is 3-(difluoromethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethyl)pyrrolidine;hydrochloride
PubChem CID71755614
Molecular FormulaC5H10ClF2N
Molecular Weight157.59 g/mol
Exact Mass157.05
IUPAC Name3-(difluoromethyl)pyrrolidine;hydrochloride
SMILESCl.FC(F)C1CCNC1
InChIInChI=1S/C5H9F2N.ClH/c6-5(7)4-1-2-8-3-4;/h4-5,8H,1-3H2;1H
InChIKeyKLYIIIVFEGRMJI-UHFFFAOYSA-N
XLogP1.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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
CID 2782827
3,3-Difluoropyrrolidine hydrochloride
CID 24903482
(3R)-3-fluoropyrrolidine hydrochloride
CID 2759162
3-Methylpyrrolidine hydrochloride
CID 12464314
3-(Trifluoromethyl)pyrrolidine hydrochloride
CID 17749759
3-Fluoropyrrolidine hydrochloride
CID 21975228
1-(2,2,2-Trifluoroethyl)-3-pyrrolidinemethanamine
CID 24700159
(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-Fluoro-3-methylpyrrolidine hydrochloride
CID 71757729
3-(Fluoromethyl)pyrrolidine hydrochloride
CID 84716215

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(difluoromethyl)pyrrolidine;hydrochloride (CID 71755614) is 3-(difluoromethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(difluoromethyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(difluoromethyl)pyrrolidine;hydrochloride is Cl.FC(F)C1CCNC1.
What is the InChIKey of 3-(difluoromethyl)pyrrolidine;hydrochloride?
The InChIKey is KLYIIIVFEGRMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.ClH/c6-5(7)4-1-2-8-3-4;/h4-5,8H,1-3H2;1H.
What are the key properties of 3-(difluoromethyl)pyrrolidine;hydrochloride?
3-(difluoromethyl)pyrrolidine;hydrochloride has a molecular weight of 157.59 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 71755614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).