N-(difluoromethyl)-3-hydroxy-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide

C12H22F2N2O2 — CID 176787150

IUPACN-(difluoromethyl)-3-hydroxy-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide
SMILESCC(C)N1CCC(O)(C(=O)N(C(C)C)C(F)F)C1
InChIInChI=1S/C12H22F2N2O2/c1-8(2)15-6-5-12(18,7-15)10(17)16(9(3)4)11(13)14/h8-9,11,18H,5-7H2,1-4H3
InChIKeyRTMATNCOUYCQOI-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.29
Rot. Bonds4

About N-(difluoromethyl)-3-hydroxy-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide

N-(difluoromethyl)-3-hydroxy-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide (PubChem CID 176787150) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(difluoromethyl)-3-hydroxy-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(difluoromethyl)-3-hydroxy-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide
PubChem CID176787150
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC NameN-(difluoromethyl)-3-hydroxy-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide
SMILESCC(C)N1CCC(O)(C(=O)N(C(C)C)C(F)F)C1
InChIInChI=1S/C12H22F2N2O2/c1-8(2)15-6-5-12(18,7-15)10(17)16(9(3)4)11(13)14/h8-9,11,18H,5-7H2,1-4H3
InChIKeyRTMATNCOUYCQOI-UHFFFAOYSA-N
XLogP1.29
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4-Difluoro-3-hydroxy-1-methyl-3-prop-1-ynylpyrrolidin-2-one
CID 117919181
3-But-1-ynyl-4,4-difluoro-3-hydroxy-1-methylpyrrolidin-2-one
CID 117938008
(3R)-4,4-difluoro-3-hydroxy-1,3-dimethylpyrrolidin-2-one
CID 170382339
3-Ethyl-3-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 170651115
4,4-Difluoro-3-hydroxy-1,3-dimethylpyrrolidin-2-one
CID 177263046
N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 79377658
N-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 79382161
4-(3-Hydroxy-3-methylpyrrolidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 103726986
3-(Ethylamino)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one
CID 112737752
3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 113251760
3-Amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119800816
3-Amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one
CID 119800817

Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-3-hydroxy-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(difluoromethyl)-3-hydroxy-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide (CID 176787150) is N-(difluoromethyl)-3-hydroxy-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(difluoromethyl)-3-hydroxy-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(difluoromethyl)-3-hydroxy-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide is CC(C)N1CCC(O)(C(=O)N(C(C)C)C(F)F)C1.
What is the InChIKey of N-(difluoromethyl)-3-hydroxy-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is RTMATNCOUYCQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-8(2)15-6-5-12(18,7-15)10(17)16(9(3)4)11(13)14/h8-9,11,18H,5-7H2,1-4H3.
What are the key properties of N-(difluoromethyl)-3-hydroxy-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide?
N-(difluoromethyl)-3-hydroxy-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-3-hydroxy-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 176787150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).