2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone

C7H10F3NO — CID 45080814

IUPAC2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone
SMILESC[C@H]1CCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO/c1-5-2-3-11(4-5)6(12)7(8,9)10/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyKAPVVIHTLSIRRF-YFKPBYRVSA-N
MW181.16 g/mol
LogP1.42
Rot. Bonds

About 2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone

2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone (PubChem CID 45080814) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone
PubChem CID45080814
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone
SMILESC[C@H]1CCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO/c1-5-2-3-11(4-5)6(12)7(8,9)10/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyKAPVVIHTLSIRRF-YFKPBYRVSA-N
XLogP1.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(Trifluoroacetyl)pyrrolidine
CID 566724
2,2,2-Trifluoro-1-(3-methylpyrrolidin-1-yl)ethan-1-one
CID 45080837
3,3,3-Trifluoro-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
CID 146165161
(2S)-1-(3,3-dimethylpyrrolidin-1-yl)-4,4-difluoro-2-methylbutan-1-one
CID 129348696
2,2-Difluoro-1-(pyrrolidin-1-yl)ethan-1-one
CID 13718529
1-(3-Fluoropyrrolidin-1-yl)ethanone
CID 17856394
2-Fluoro-1-pyrrolidin-1-ylpropan-1-one
CID 25001565
2,2,2-Trifluoro-1-[(3R)-3-methylpyrrolidin-1-yl]ethan-1-one
CID 45080815
(4S)-1-ethyl-4-(fluoromethyl)pyrrolidin-2-one
CID 57751908
1-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-one
CID 57998949
1-(3,3-Difluoropyrrolidin-1-yl)propan-1-one
CID 57998996
1-[(3R)-3-fluoropyrrolidin-1-yl]propan-1-one
CID 57999058

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone (CID 45080814) is 2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone is C[C@H]1CCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone?
The InChIKey is KAPVVIHTLSIRRF-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-5-2-3-11(4-5)6(12)7(8,9)10/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of 2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone has a molecular weight of 181.16 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 45080814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).