1-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one

C10H16F3NO2 — CID 79546157

IUPAC1-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1CC(O)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-7(15)5-8-3-2-4-14(8)6-9(16)10(11,12)13/h8-9,16H,2-6H2,1H3
InChIKeyODOXZTFTZXONAX-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.35
Rot. Bonds4

About 1-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one

1-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one (PubChem CID 79546157) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one
PubChem CID79546157
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1CC(O)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-7(15)5-8-3-2-4-14(8)6-9(16)10(11,12)13/h8-9,16H,2-6H2,1H3
InChIKeyODOXZTFTZXONAX-UHFFFAOYSA-N
XLogP1.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one
CID 79545888
1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one
CID 79537849
1-[1-(2,3-dihydroxypropyl)azepan-2-yl]propan-2-one
CID 82851054
tert-butyl (2S)-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylate
CID 113330977
1-[1-(2-fluoroethyl)piperidin-2-yl]propan-2-one
CID 80695193
1-(3,3,3-trifluoro-2-hydroxypropyl)azepane-2-carboxylic acid
CID 64562379
1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-one
CID 79547050
N,N-dimethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546567
1-(1-but-2-enylpyrrolidin-2-yl)propan-2-one
CID 79547073
1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone
CID 63901490
1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one
CID 82892304
1-[1-(2-hydroxy-2-methylpropyl)azepan-2-yl]propan-2-one
CID 79560522

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one (CID 79546157) is 1-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1CC(O)C(F)(F)F.
What is the InChIKey of 1-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one?
The InChIKey is ODOXZTFTZXONAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-7(15)5-8-3-2-4-14(8)6-9(16)10(11,12)13/h8-9,16H,2-6H2,1H3.
What are the key properties of 1-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one?
1-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one has a molecular weight of 239.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 79546157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).