N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C8H11F5N2O — CID 115406927

IUPACN-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(F)F)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C8H11F5N2O/c9-5(10)3-15-6(16)7(8(11,12)13)1-2-14-4-7/h5,14H,1-4H2,(H,15,16)
InChIKeyMCZCHNZMNGSDJY-UHFFFAOYSA-N
MW246.18 g/mol
LogP0.91
Rot. Bonds3

About N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 115406927) has the molecular formula C8H11F5N2O and a molecular weight of 246.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID115406927
Molecular FormulaC8H11F5N2O
Molecular Weight246.18 g/mol
Exact Mass246.08
IUPAC NameN-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(F)F)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C8H11F5N2O/c9-5(10)3-15-6(16)7(8(11,12)13)1-2-14-4-7/h5,14H,1-4H2,(H,15,16)
InChIKeyMCZCHNZMNGSDJY-UHFFFAOYSA-N
XLogP0.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710060
N-[2-(2-hydroxyethyl)pentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106116600
N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710909
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79362855
N-[(3-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106134159
3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
CID 63992790
N-(cyclohexylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708236
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63958651
2-[1-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81164780
N-(2-hydroxy-2-methylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106292003
N-(2-prop-2-enylsulfanylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106427350
N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708209

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 115406927) is N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCC(F)F)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is MCZCHNZMNGSDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5N2O/c9-5(10)3-15-6(16)7(8(11,12)13)1-2-14-4-7/h5,14H,1-4H2,(H,15,16).
What are the key properties of N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 246.18 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 115406927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).