3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide

C8H14F2N2O — CID 118330204

IUPAC3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C8H14F2N2O/c1-6(2)11-7(13)12-4-3-8(9,10)5-12/h6H,3-5H2,1-2H3,(H,11,13)
InChIKeyHLQOOAQHNHAYNO-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.45
Rot. Bonds1

About 3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide

3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 118330204) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is 3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID118330204
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C8H14F2N2O/c1-6(2)11-7(13)12-4-3-8(9,10)5-12/h6H,3-5H2,1-2H3,(H,11,13)
InChIKeyHLQOOAQHNHAYNO-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,3-difluoropyrrolidin-1-yl)ethenyl]propan-2-amine
CID 118390755
3,3-difluoro-N-propan-2-ylpyrrolidine-1-carbothioamide
CID 131041967
3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 164555892
3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane
CID 164555762
N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 118739092
N-propan-2-ylazetidine-1-carboxamide
CID 126972093
4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide
CID 115660921
1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane
CID 158658262
N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 170193846
3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide
CID 116656011
N-propan-2-yl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 47236079
3,3-difluoropiperidine-1-carbohydrazide
CID 116991543

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide (CID 118330204) is 3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide is CC(C)NC(=O)N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is HLQOOAQHNHAYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c1-6(2)11-7(13)12-4-3-8(9,10)5-12/h6H,3-5H2,1-2H3,(H,11,13).
What are the key properties of 3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide?
3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 192.21 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 118330204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).