N-(difluoromethyl)-N,1-dimethylpyrrolidine-3-carboxamide

C8H14F2N2O — CID 171516608

IUPACN-(difluoromethyl)-N,1-dimethylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)N(C)C(F)F)C1
InChIInChI=1S/C8H14F2N2O/c1-11-4-3-6(5-11)7(13)12(2)8(9)10/h6,8H,3-5H2,1-2H3
InChIKeySFJODFXRUGHZRG-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.62
Rot. Bonds2

About N-(difluoromethyl)-N,1-dimethylpyrrolidine-3-carboxamide

N-(difluoromethyl)-N,1-dimethylpyrrolidine-3-carboxamide (PubChem CID 171516608) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is N-(difluoromethyl)-N,1-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(difluoromethyl)-N,1-dimethylpyrrolidine-3-carboxamide
PubChem CID171516608
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC NameN-(difluoromethyl)-N,1-dimethylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)N(C)C(F)F)C1
InChIInChI=1S/C8H14F2N2O/c1-11-4-3-6(5-11)7(13)12(2)8(9)10/h6,8H,3-5H2,1-2H3
InChIKeySFJODFXRUGHZRG-UHFFFAOYSA-N
XLogP0.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[methyl-(1-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 110837306
(3S)-N-cyclohexyl-N,1-dimethylpyrrolidine-3-carboxamide
CID 134459471
(3R)-N-cyclohexyl-N,1-dimethylpyrrolidine-3-carboxamide
CID 134459454
methyl 3-[methyl-(1-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 55207954
2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63072028
3-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
CID 116915570
N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 104877076
N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110849594
N'-(1-hydroxyethyl)-1-methylpyrrolidine-3-carbohydrazide
CID 91110236
3-amino-2,2-dimethyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
CID 116915700
2-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
CID 116915429
N-(2,2-dimethylpropyl)-1-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 23588525

Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-N,1-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(difluoromethyl)-N,1-dimethylpyrrolidine-3-carboxamide (CID 171516608) is N-(difluoromethyl)-N,1-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(difluoromethyl)-N,1-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(difluoromethyl)-N,1-dimethylpyrrolidine-3-carboxamide is CN1CCC(C(=O)N(C)C(F)F)C1.
What is the InChIKey of N-(difluoromethyl)-N,1-dimethylpyrrolidine-3-carboxamide?
The InChIKey is SFJODFXRUGHZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c1-11-4-3-6(5-11)7(13)12(2)8(9)10/h6,8H,3-5H2,1-2H3.
What are the key properties of N-(difluoromethyl)-N,1-dimethylpyrrolidine-3-carboxamide?
N-(difluoromethyl)-N,1-dimethylpyrrolidine-3-carboxamide has a molecular weight of 192.21 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N,1-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 171516608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).