1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone

C8H13F3N2O — CID 28595912

IUPAC1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCCC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)6-12-5-7(14)13-3-1-2-4-13/h12H,1-6H2
InChIKeyKFEMBHJMPJTNSL-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.76
Rot. Bonds3

About 1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone

1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 28595912) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID28595912
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCCC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)6-12-5-7(14)13-3-1-2-4-13/h12H,1-6H2
InChIKeyKFEMBHJMPJTNSL-UHFFFAOYSA-N
XLogP0.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235197
1-[4-[2-(2,2,2-trifluoroethylamino)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 78958458
1-piperidin-1-yl-2-(3,3,3-trifluoropropylamino)ethanone
CID 63226480
2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone
CID 106176895
(3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid
CID 81121210
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 79261520
ethyl 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-carboxylate
CID 78914960
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 103745543
N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide
CID 89247006
ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate
CID 78914745
N-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide
CID 78924430

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone (CID 28595912) is 1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone is O=C(CNCC(F)(F)F)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is KFEMBHJMPJTNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c9-8(10,11)6-12-5-7(14)13-3-1-2-4-13/h12H,1-6H2.
What are the key properties of 1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone?
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 210.20 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 28595912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).