(4,4-difluoropiperidin-1-yl)-[5-hydroxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanone

C16H15F5N2O2 — CID 67526963

IUPAC(4,4-difluoropiperidin-1-yl)-[5-hydroxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanone
SMILESO=C(c1cc2cc(O)ccc2n1CC(F)(F)F)N1CCC(F)(F)CC1
InChIInChI=1S/C16H15F5N2O2/c17-15(18)3-5-22(6-4-15)14(25)13-8-10-7-11(24)1-2-12(10)23(13)9-16(19,20)21/h1-2,7-8,24H,3-6,9H2
InChIKeyPCZQJTZZPBHWPJ-UHFFFAOYSA-N
MW362.30 g/mol
LogP3.78
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-[5-hydroxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanone

(4,4-difluoropiperidin-1-yl)-[5-hydroxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanone (PubChem CID 67526963) has the molecular formula C16H15F5N2O2 and a molecular weight of 362.30 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[5-hydroxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[5-hydroxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanone
PubChem CID67526963
Molecular FormulaC16H15F5N2O2
Molecular Weight362.30 g/mol
Exact Mass362.11
IUPAC Name(4,4-difluoropiperidin-1-yl)-[5-hydroxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanone
SMILESO=C(c1cc2cc(O)ccc2n1CC(F)(F)F)N1CCC(F)(F)CC1
InChIInChI=1S/C16H15F5N2O2/c17-15(18)3-5-22(6-4-15)14(25)13-8-10-7-11(24)1-2-12(10)23(13)9-16(19,20)21/h1-2,7-8,24H,3-6,9H2
InChIKeyPCZQJTZZPBHWPJ-UHFFFAOYSA-N
XLogP3.78
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[5-hydroxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[5-hydroxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanone (CID 67526963) is (4,4-difluoropiperidin-1-yl)-[5-hydroxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[5-hydroxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[5-hydroxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanone is O=C(c1cc2cc(O)ccc2n1CC(F)(F)F)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[5-hydroxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanone?
The InChIKey is PCZQJTZZPBHWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F5N2O2/c17-15(18)3-5-22(6-4-15)14(25)13-8-10-7-11(24)1-2-12(10)23(13)9-16(19,20)21/h1-2,7-8,24H,3-6,9H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[5-hydroxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[5-hydroxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanone has a molecular weight of 362.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[5-hydroxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanone is sourced from PubChem (CID 67526963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).