1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methyl-4-pyridin-2-ylpentan-2-ol

C20H21F3N2O — CID 10237128

IUPAC1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methyl-4-pyridin-2-ylpentan-2-ol
SMILESCC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1ccccn1
InChIInChI=1S/C20H21F3N2O/c1-18(2,17-9-5-6-10-24-17)13-19(26,20(21,22)23)12-15-11-14-7-3-4-8-16(14)25-15/h3-11,25-26H,12-13H2,1-2H3
InChIKeyFGPTVWSEADMQBZ-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.77
Rot. Bonds5

About 1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methyl-4-pyridin-2-ylpentan-2-ol

1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methyl-4-pyridin-2-ylpentan-2-ol (PubChem CID 10237128) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methyl-4-pyridin-2-ylpentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methyl-4-pyridin-2-ylpentan-2-ol
PubChem CID10237128
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methyl-4-pyridin-2-ylpentan-2-ol
SMILESCC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1ccccn1
InChIInChI=1S/C20H21F3N2O/c1-18(2,17-9-5-6-10-24-17)13-19(26,20(21,22)23)12-15-11-14-7-3-4-8-16(14)25-15/h3-11,25-26H,12-13H2,1-2H3
InChIKeyFGPTVWSEADMQBZ-UHFFFAOYSA-N
XLogP4.77
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methyl-4-pyridin-2-ylpentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methyl-4-pyridin-2-ylpentan-2-ol (CID 10237128) is 1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methyl-4-pyridin-2-ylpentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methyl-4-pyridin-2-ylpentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methyl-4-pyridin-2-ylpentan-2-ol is CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1ccccn1.
What is the InChIKey of 1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methyl-4-pyridin-2-ylpentan-2-ol?
The InChIKey is FGPTVWSEADMQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O/c1-18(2,17-9-5-6-10-24-17)13-19(26,20(21,22)23)12-15-11-14-7-3-4-8-16(14)25-15/h3-11,25-26H,12-13H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methyl-4-pyridin-2-ylpentan-2-ol?
1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methyl-4-pyridin-2-ylpentan-2-ol has a molecular weight of 362.40 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-4-methyl-4-pyridin-2-ylpentan-2-ol is sourced from PubChem (CID 10237128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).