1,1-difluoro-1-pyrrolidin-2-ylpropan-2-one

C7H11F2NO — CID 105432005

IUPAC1,1-difluoro-1-pyrrolidin-2-ylpropan-2-one
SMILESCC(=O)C(F)(F)C1CCCN1
InChIInChI=1S/C7H11F2NO/c1-5(11)7(8,9)6-3-2-4-10-6/h6,10H,2-4H2,1H3
InChIKeyQUPZCOJXXORIAK-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.96
Rot. Bonds2

About 1,1-difluoro-1-pyrrolidin-2-ylpropan-2-one

1,1-difluoro-1-pyrrolidin-2-ylpropan-2-one (PubChem CID 105432005) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 1,1-difluoro-1-pyrrolidin-2-ylpropan-2-one.

Molecular Properties

Compound Name1,1-difluoro-1-pyrrolidin-2-ylpropan-2-one
PubChem CID105432005
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name1,1-difluoro-1-pyrrolidin-2-ylpropan-2-one
SMILESCC(=O)C(F)(F)C1CCCN1
InChIInChI=1S/C7H11F2NO/c1-5(11)7(8,9)6-3-2-4-10-6/h6,10H,2-4H2,1H3
InChIKeyQUPZCOJXXORIAK-UHFFFAOYSA-N
XLogP0.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-2-pyrrolidin-2-ylacetyl chloride
CID 105440883
1,1,1,3,3,3-hexafluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
CID 167396115
2-[(2R)-pyrrolidin-2-yl]propan-2-ol
CID 12732175
2-tert-butylpyrrolidine;methane
CID 174978961
1-chloro-1-pyrrolidin-2-ylethanol
CID 126542181
2-(trifluoromethyl)piperidine;hydrochloride
CID 66570552
(2S)-2-(trifluoromethyl)azepane
CID 52810921
(2S)-2-[2-[(2-methylpropan-2-yl)oxy]propan-2-yl]pyrrolidine
CID 176610737
(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanol
CID 59628696
2-(2-fluoro-3-methylpentan-2-yl)pyrrolidine
CID 131015142
(2R)-3-methyl-2-[(2S)-pyrrolidin-2-yl]butan-2-ol
CID 138485633
2-(1,1-difluoro-2-methylpropyl)piperidine
CID 83855167

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-pyrrolidin-2-ylpropan-2-one?
The IUPAC name of 1,1-difluoro-1-pyrrolidin-2-ylpropan-2-one (CID 105432005) is 1,1-difluoro-1-pyrrolidin-2-ylpropan-2-one.
What is the SMILES notation for 1,1-difluoro-1-pyrrolidin-2-ylpropan-2-one?
The canonical SMILES for 1,1-difluoro-1-pyrrolidin-2-ylpropan-2-one is CC(=O)C(F)(F)C1CCCN1.
What is the InChIKey of 1,1-difluoro-1-pyrrolidin-2-ylpropan-2-one?
The InChIKey is QUPZCOJXXORIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-5(11)7(8,9)6-3-2-4-10-6/h6,10H,2-4H2,1H3.
What are the key properties of 1,1-difluoro-1-pyrrolidin-2-ylpropan-2-one?
1,1-difluoro-1-pyrrolidin-2-ylpropan-2-one has a molecular weight of 163.17 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-pyrrolidin-2-ylpropan-2-one is sourced from PubChem (CID 105432005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).