2-(trifluoromethyl)pyrrolidine-1-carboxamide

C6H9F3N2O — CID 146082137

IUPAC2-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCCC1C(F)(F)F
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)4-2-1-3-11(4)5(10)12/h4H,1-3H2,(H2,10,12)
InChIKeyNOXRJSQCVMXQFP-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.09
Rot. Bonds

About 2-(trifluoromethyl)pyrrolidine-1-carboxamide

2-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 146082137) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID146082137
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name2-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCCC1C(F)(F)F
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)4-2-1-3-11(4)5(10)12/h4H,1-3H2,(H2,10,12)
InChIKeyNOXRJSQCVMXQFP-UHFFFAOYSA-N
XLogP1.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethoxy]-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 142792132
(2R)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222
3-(trifluoromethyl)morpholine-4-carboxamide
CID 155634360
2-(trifluoromethyl)pyrrolidine-1-carbaldehyde
CID 87727190
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 142656009
1-prop-1-en-2-yl-2-(trifluoromethyl)piperidine
CID 163727727
2-(4-bromophenoxy)-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 167892257
propan-2-yl 2-(trifluoromethyl)azepane-1-carboxylate
CID 177327456
(6S)-6-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-diazinane-2,4-dione
CID 138016793
2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 140707313
(3-methyltriazol-4-yl)-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 138016799
1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-2-carboxamide
CID 103733524

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 146082137) is 2-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(trifluoromethyl)pyrrolidine-1-carboxamide is NC(=O)N1CCCC1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is NOXRJSQCVMXQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c7-6(8,9)4-2-1-3-11(4)5(10)12/h4H,1-3H2,(H2,10,12).
What are the key properties of 2-(trifluoromethyl)pyrrolidine-1-carboxamide?
2-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 182.14 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 146082137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).