(3-hydroxypyrrolidin-1-yl)-(2,4,6-trifluorophenyl)methanone

C11H10F3NO2 — CID 65100423

IUPAC(3-hydroxypyrrolidin-1-yl)-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1c(F)cc(F)cc1F)N1CCC(O)C1
InChIInChI=1S/C11H10F3NO2/c12-6-3-8(13)10(9(14)4-6)11(17)15-2-1-7(16)5-15/h3-4,7,16H,1-2,5H2
InChIKeyBUHFVJRPSNPIDZ-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.31
Rot. Bonds1

About (3-hydroxypyrrolidin-1-yl)-(2,4,6-trifluorophenyl)methanone

(3-hydroxypyrrolidin-1-yl)-(2,4,6-trifluorophenyl)methanone (PubChem CID 65100423) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-(2,4,6-trifluorophenyl)methanone
PubChem CID65100423
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name(3-hydroxypyrrolidin-1-yl)-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1c(F)cc(F)cc1F)N1CCC(O)C1
InChIInChI=1S/C11H10F3NO2/c12-6-3-8(13)10(9(14)4-6)11(17)15-2-1-7(16)5-15/h3-4,7,16H,1-2,5H2
InChIKeyBUHFVJRPSNPIDZ-UHFFFAOYSA-N
XLogP1.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(hydroxymethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 65100273
(3-bromo-4-fluorophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71922611
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 112627290
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
(2,6-difluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 82816607
(4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 94895188
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037
(3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 79773812
(3-fluoro-5-nitrophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79421767
(4-fluoro-3-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 81002014
(3-fluoro-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561545
(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916558

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-(2,4,6-trifluorophenyl)methanone (CID 65100423) is (3-hydroxypyrrolidin-1-yl)-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-(2,4,6-trifluorophenyl)methanone is O=C(c1c(F)cc(F)cc1F)N1CCC(O)C1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-(2,4,6-trifluorophenyl)methanone?
The InChIKey is BUHFVJRPSNPIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-6-3-8(13)10(9(14)4-6)11(17)15-2-1-7(16)5-15/h3-4,7,16H,1-2,5H2.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-(2,4,6-trifluorophenyl)methanone?
(3-hydroxypyrrolidin-1-yl)-(2,4,6-trifluorophenyl)methanone has a molecular weight of 245.20 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 65100423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).