3-(1,1-difluoro-2-methylpropyl)pyrrolidine;hydrochloride

C8H16ClF2N — CID 115058424

IUPAC3-(1,1-difluoro-2-methylpropyl)pyrrolidine;hydrochloride
SMILESCC(C)C(F)(F)C1CCNC1.Cl
InChIInChI=1S/C8H15F2N.ClH/c1-6(2)8(9,10)7-3-4-11-5-7;/h6-7,11H,3-5H2,1-2H3;1H
InChIKeyOOGHPRLOTLBYRK-UHFFFAOYSA-N
MW199.67 g/mol
LogP2.31
Rot. Bonds2

About 3-(1,1-difluoro-2-methylpropyl)pyrrolidine;hydrochloride

3-(1,1-difluoro-2-methylpropyl)pyrrolidine;hydrochloride (PubChem CID 115058424) has the molecular formula C8H16ClF2N and a molecular weight of 199.67 g/mol. Its IUPAC name is 3-(1,1-difluoro-2-methylpropyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(1,1-difluoro-2-methylpropyl)pyrrolidine;hydrochloride
PubChem CID115058424
Molecular FormulaC8H16ClF2N
Molecular Weight199.67 g/mol
Exact Mass199.09
IUPAC Name3-(1,1-difluoro-2-methylpropyl)pyrrolidine;hydrochloride
SMILESCC(C)C(F)(F)C1CCNC1.Cl
InChIInChI=1S/C8H15F2N.ClH/c1-6(2)8(9,10)7-3-4-11-5-7;/h6-7,11H,3-5H2,1-2H3;1H
InChIKeyOOGHPRLOTLBYRK-UHFFFAOYSA-N
XLogP2.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.67
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1,1-difluoro-2-methylpropyl)piperidine
CID 83855168
(3R)-3-(1,1-difluoroethyl)pyrrolidine
CID 154810011
3-(1,1-difluoro-3-methylbutyl)pyrrolidine
CID 105436998
4-(1,1-difluoroethyl)piperidine;hydrochloride
CID 84718975
3-(2-fluorobut-3-yn-2-yl)pyrrolidine
CID 127016517
3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine
CID 115058342
4-(1,1-difluoro-2,2-dimethylpropyl)piperidine;hydrochloride
CID 115058491
5-methyl-3-(trifluoromethyl)azepane
CID 176694469
2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane
CID 160675736
3-fluoro-N-methyl-3-pyrrolidin-3-ylbutan-1-amine
CID 105435897
3-[difluoro-(4-methylsulfanylphenyl)methyl]pyrrolidine
CID 116839106
3-fluoro-3-pyrrolidin-3-ylbutanoic acid
CID 105436039

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-2-methylpropyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(1,1-difluoro-2-methylpropyl)pyrrolidine;hydrochloride (CID 115058424) is 3-(1,1-difluoro-2-methylpropyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(1,1-difluoro-2-methylpropyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(1,1-difluoro-2-methylpropyl)pyrrolidine;hydrochloride is CC(C)C(F)(F)C1CCNC1.Cl.
What is the InChIKey of 3-(1,1-difluoro-2-methylpropyl)pyrrolidine;hydrochloride?
The InChIKey is OOGHPRLOTLBYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N.ClH/c1-6(2)8(9,10)7-3-4-11-5-7;/h6-7,11H,3-5H2,1-2H3;1H.
What are the key properties of 3-(1,1-difluoro-2-methylpropyl)pyrrolidine;hydrochloride?
3-(1,1-difluoro-2-methylpropyl)pyrrolidine;hydrochloride has a molecular weight of 199.67 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-2-methylpropyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 115058424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).