3-methyl-3-(trifluoromethyl)pyrrolidine;hydrochloride

C6H11ClF3N — CID 105443984

IUPAC3-methyl-3-(trifluoromethyl)pyrrolidine;hydrochloride
SMILESCC1(C(F)(F)F)CCNC1.Cl
InChIInChI=1S/C6H10F3N.ClH/c1-5(6(7,8)9)2-3-10-4-5;/h10H,2-4H2,1H3;1H
InChIKeyTUWPNDSVKPVFHW-UHFFFAOYSA-N
MW189.61 g/mol
LogP1.97
Rot. Bonds

About 3-methyl-3-(trifluoromethyl)pyrrolidine;hydrochloride

3-methyl-3-(trifluoromethyl)pyrrolidine;hydrochloride (PubChem CID 105443984) has the molecular formula C6H11ClF3N and a molecular weight of 189.61 g/mol. Its IUPAC name is 3-methyl-3-(trifluoromethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-methyl-3-(trifluoromethyl)pyrrolidine;hydrochloride
PubChem CID105443984
Molecular FormulaC6H11ClF3N
Molecular Weight189.61 g/mol
Exact Mass189.05
IUPAC Name3-methyl-3-(trifluoromethyl)pyrrolidine;hydrochloride
SMILESCC1(C(F)(F)F)CCNC1.Cl
InChIInChI=1S/C6H10F3N.ClH/c1-5(6(7,8)9)2-3-10-4-5;/h10H,2-4H2,1H3;1H
InChIKeyTUWPNDSVKPVFHW-UHFFFAOYSA-N
XLogP1.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.61
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-1-(trifluoromethyl)cyclopentane
CID 45098338
ethane;3-(trifluoromethyl)pyrrolidin-3-ol
CID 170646332
(3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 51647572
7,7-difluoro-1,6-dimethyl-3-azabicyclo[4.1.0]heptane;hydrochloride
CID 146049859
3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
CID 63992790
1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride
CID 120903643
(3S)-3-fluoro-3-methylpiperidine
CID 97009658
(3R)-3-fluoro-3-methylazepane
CID 124708989
3,3-dimethylpyrrolidine;hydroiodide
CID 173023387
3-methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine
CID 178127838
1-[3-(trifluoromethyl)pyrrolidin-3-yl]heptan-1-one
CID 116572874
(2R)-2-methyl-2-(trifluoromethyl)morpholine
CID 124552386

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(trifluoromethyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-methyl-3-(trifluoromethyl)pyrrolidine;hydrochloride (CID 105443984) is 3-methyl-3-(trifluoromethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-methyl-3-(trifluoromethyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-methyl-3-(trifluoromethyl)pyrrolidine;hydrochloride is CC1(C(F)(F)F)CCNC1.Cl.
What is the InChIKey of 3-methyl-3-(trifluoromethyl)pyrrolidine;hydrochloride?
The InChIKey is TUWPNDSVKPVFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N.ClH/c1-5(6(7,8)9)2-3-10-4-5;/h10H,2-4H2,1H3;1H.
What are the key properties of 3-methyl-3-(trifluoromethyl)pyrrolidine;hydrochloride?
3-methyl-3-(trifluoromethyl)pyrrolidine;hydrochloride has a molecular weight of 189.61 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(trifluoromethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 105443984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).