1,2-dimethyl-3-(trifluoromethyl)pyrrolidine

C7H12F3N — CID 130693557

IUPAC1,2-dimethyl-3-(trifluoromethyl)pyrrolidine
SMILESCC1C(C(F)(F)F)CCN1C
InChIInChI=1S/C7H12F3N/c1-5-6(7(8,9)10)3-4-11(5)2/h5-6H,3-4H2,1-2H3
InChIKeyOWTWLNXGMPCXQP-UHFFFAOYSA-N
MW167.17 g/mol
LogP1.89
Rot. Bonds

About 1,2-dimethyl-3-(trifluoromethyl)pyrrolidine

1,2-dimethyl-3-(trifluoromethyl)pyrrolidine (PubChem CID 130693557) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 1,2-dimethyl-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1,2-dimethyl-3-(trifluoromethyl)pyrrolidine
PubChem CID130693557
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name1,2-dimethyl-3-(trifluoromethyl)pyrrolidine
SMILESCC1C(C(F)(F)F)CCN1C
InChIInChI=1S/C7H12F3N/c1-5-6(7(8,9)10)3-4-11(5)2/h5-6H,3-4H2,1-2H3
InChIKeyOWTWLNXGMPCXQP-UHFFFAOYSA-N
XLogP1.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-Difluoro-1-methylpyrrolidin-3-yl)ethanamine
CID 20763629
2,2-Difluoro-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 20763653
1,2,2-Trimethyl-4-(trifluoromethyl)pyrrolidine
CID 21025949
4,4-Difluoro-1,2,2-trimethylpyrrolidine
CID 21025962
2-Methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 23395523
4,4-Difluoro-1,2-dimethylpyrrolidine
CID 23521112
(3S)-1-(2,2-difluoroethyl)-3-methylpyrrolidine
CID 57639847
1-Methyl-2-(trifluoromethyl)pyrrolidine
CID 57837852
(3R)-1-(2,2-difluoroethyl)-3-methylpyrrolidine
CID 57973918
1-Propan-2-yl-2-(trifluoromethyl)pyrrolidine
CID 58110267
4-(Difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58195216
1-(2,2-Difluoroethyl)-3-methylpyrrolidine
CID 58279612

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 1,2-dimethyl-3-(trifluoromethyl)pyrrolidine (CID 130693557) is 1,2-dimethyl-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 1,2-dimethyl-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 1,2-dimethyl-3-(trifluoromethyl)pyrrolidine is CC1C(C(F)(F)F)CCN1C.
What is the InChIKey of 1,2-dimethyl-3-(trifluoromethyl)pyrrolidine?
The InChIKey is OWTWLNXGMPCXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-5-6(7(8,9)10)3-4-11(5)2/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,2-dimethyl-3-(trifluoromethyl)pyrrolidine?
1,2-dimethyl-3-(trifluoromethyl)pyrrolidine has a molecular weight of 167.17 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 130693557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).