(3S)-3-(1,1-difluoroethyl)pyrrolidine;hydrochloride

C6H12ClF2N — CID 154810162

IUPAC(3S)-3-(1,1-difluoroethyl)pyrrolidine;hydrochloride
SMILESCC(F)(F)[C@H]1CCNC1.Cl
InChIInChI=1S/C6H11F2N.ClH/c1-6(7,8)5-2-3-9-4-5;/h5,9H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKeyFFQCXQLGZUQWSH-JEDNCBNOSA-N
MW171.62 g/mol
LogP1.67
Rot. Bonds1

About (3S)-3-(1,1-difluoroethyl)pyrrolidine;hydrochloride

(3S)-3-(1,1-difluoroethyl)pyrrolidine;hydrochloride (PubChem CID 154810162) has the molecular formula C6H12ClF2N and a molecular weight of 171.62 g/mol. Its IUPAC name is (3S)-3-(1,1-difluoroethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(1,1-difluoroethyl)pyrrolidine;hydrochloride
PubChem CID154810162
Molecular FormulaC6H12ClF2N
Molecular Weight171.62 g/mol
Exact Mass171.06
IUPAC Name(3S)-3-(1,1-difluoroethyl)pyrrolidine;hydrochloride
SMILESCC(F)(F)[C@H]1CCNC1.Cl
InChIInChI=1S/C6H11F2N.ClH/c1-6(7,8)5-2-3-9-4-5;/h5,9H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKeyFFQCXQLGZUQWSH-JEDNCBNOSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.62
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Ethylpyrrolidine
CID 12648195
2-Methyl-2-(trifluoromethyl)pyrrolidine
CID 15672688
3-(Trifluoromethyl)pyrrolidine hydrochloride
CID 17749759
1,1-Difluoro-5-azaspiro(2.4)heptane hydrochloride
CID 45158910
(1R,5S,6S)-6-(trifluoromethyl)-3-azabicyclo(3.1.0)hexane hydrochloride
CID 45792565
3-(2,2,2-Trifluoroethyl)pyrrolidine hydrochloride
CID 50988606
3-(2-Fluoroethyl)pyrrolidine
CID 53409225
3-(Difluoromethyl)pyrrolidine hydrochloride
CID 71755614
3-Ethylpyrrolidine hydrochloride
CID 71755796
2,3-Dimethylpyrrolidine hydrochloride
CID 72149977
3,3-Difluoro-4-methylpyrrolidine hydrochloride
CID 84716657
4-(1,1-Difluoroethyl)piperidine hydrochloride
CID 84718975

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1,1-difluoroethyl)pyrrolidine;hydrochloride?
The IUPAC name of (3S)-3-(1,1-difluoroethyl)pyrrolidine;hydrochloride (CID 154810162) is (3S)-3-(1,1-difluoroethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for (3S)-3-(1,1-difluoroethyl)pyrrolidine;hydrochloride?
The canonical SMILES for (3S)-3-(1,1-difluoroethyl)pyrrolidine;hydrochloride is CC(F)(F)[C@H]1CCNC1.Cl.
What is the InChIKey of (3S)-3-(1,1-difluoroethyl)pyrrolidine;hydrochloride?
The InChIKey is FFQCXQLGZUQWSH-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H11F2N.ClH/c1-6(7,8)5-2-3-9-4-5;/h5,9H,2-4H2,1H3;1H/t5-;/m0./s1.
What are the key properties of (3S)-3-(1,1-difluoroethyl)pyrrolidine;hydrochloride?
(3S)-3-(1,1-difluoroethyl)pyrrolidine;hydrochloride has a molecular weight of 171.62 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1,1-difluoroethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 154810162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).