2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-phenylethanol

C17H14F3NO — CID 71090614

IUPAC2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-phenylethanol
SMILESCn1cc(C(O)(c2ccccc2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C17H14F3NO/c1-21-11-14(13-9-5-6-10-15(13)21)16(22,17(18,19)20)12-7-3-2-4-8-12/h2-11,22H,1H3
InChIKeyPAAFCONURNSTSJ-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.98
Rot. Bonds2

About 2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-phenylethanol

2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-phenylethanol (PubChem CID 71090614) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-phenylethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-phenylethanol
PubChem CID71090614
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-phenylethanol
SMILESCn1cc(C(O)(c2ccccc2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C17H14F3NO/c1-21-11-14(13-9-5-6-10-15(13)21)16(22,17(18,19)20)12-7-3-2-4-8-12/h2-11,22H,1H3
InChIKeyPAAFCONURNSTSJ-UHFFFAOYSA-N
XLogP3.98
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-phenylethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-phenylethanol (CID 71090614) is 2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-phenylethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-phenylethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-phenylethanol is Cn1cc(C(O)(c2ccccc2)C(F)(F)F)c2ccccc21.
What is the InChIKey of 2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-phenylethanol?
The InChIKey is PAAFCONURNSTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO/c1-21-11-14(13-9-5-6-10-15(13)21)16(22,17(18,19)20)12-7-3-2-4-8-12/h2-11,22H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-phenylethanol?
2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-phenylethanol has a molecular weight of 305.30 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-methylindol-3-yl)-1-phenylethanol is sourced from PubChem (CID 71090614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).