3,4-difluoro-N,N,1-trimethylpyrrolidine-3-carboxamide

C8H14F2N2O — CID 156736872

IUPAC3,4-difluoro-N,N,1-trimethylpyrrolidine-3-carboxamide
SMILESCN1CC(F)C(F)(C(=O)N(C)C)C1
InChIInChI=1S/C8H14F2N2O/c1-11(2)7(13)8(10)5-12(3)4-6(8)9/h6H,4-5H2,1-3H3
InChIKeyQOPSZZJGXUYPAK-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.07
Rot. Bonds1

About 3,4-difluoro-N,N,1-trimethylpyrrolidine-3-carboxamide

3,4-difluoro-N,N,1-trimethylpyrrolidine-3-carboxamide (PubChem CID 156736872) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is 3,4-difluoro-N,N,1-trimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3,4-difluoro-N,N,1-trimethylpyrrolidine-3-carboxamide
PubChem CID156736872
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name3,4-difluoro-N,N,1-trimethylpyrrolidine-3-carboxamide
SMILESCN1CC(F)C(F)(C(=O)N(C)C)C1
InChIInChI=1S/C8H14F2N2O/c1-11(2)7(13)8(10)5-12(3)4-6(8)9/h6H,4-5H2,1-3H3
InChIKeyQOPSZZJGXUYPAK-UHFFFAOYSA-N
XLogP0.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,3-trimethyl-3-azabicyclo[3.1.1]heptane-1-carboxamide
CID 169134276
ethane;3-hydroxy-N,N,1-trimethylpyrrolidine-3-carboxamide
CID 171516586
1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone
CID 130186895
1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea
CID 18722887
5,5-difluoro-N,N,1-trimethylpiperidin-3-amine
CID 162620550
(3S,4S)-4-fluoro-1,4-dimethylpyrrolidin-3-ol
CID 122450703
ethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol
CID 177317918
N,N,1,2,2-pentamethylcyclopropane-1-carboxamide
CID 22287124
(3R,4S)-4-fluoro-1-methyl-3-[(Z)-prop-1-enyl]pyrrolidin-3-amine
CID 143715187
(3S,4S)-3,4-difluoro-1-methylpyrrolidine
CID 70308023
5,5-difluoro-1-methylpiperidin-3-ol
CID 130890639
(3aS,6aS)-1'-ethylsulfonyl-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;2,2,2-trifluoroacetic acid
CID 127022739

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N,N,1-trimethylpyrrolidine-3-carboxamide?
The IUPAC name of 3,4-difluoro-N,N,1-trimethylpyrrolidine-3-carboxamide (CID 156736872) is 3,4-difluoro-N,N,1-trimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3,4-difluoro-N,N,1-trimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 3,4-difluoro-N,N,1-trimethylpyrrolidine-3-carboxamide is CN1CC(F)C(F)(C(=O)N(C)C)C1.
What is the InChIKey of 3,4-difluoro-N,N,1-trimethylpyrrolidine-3-carboxamide?
The InChIKey is QOPSZZJGXUYPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c1-11(2)7(13)8(10)5-12(3)4-6(8)9/h6H,4-5H2,1-3H3.
What are the key properties of 3,4-difluoro-N,N,1-trimethylpyrrolidine-3-carboxamide?
3,4-difluoro-N,N,1-trimethylpyrrolidine-3-carboxamide has a molecular weight of 192.21 g/mol, XLogP of 0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N,N,1-trimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 156736872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).