[5-amino-1-[4-(trifluoromethyl)phenyl]indol-3-yl]methanol

C16H13F3N2O — CID 156881298

IUPAC[5-amino-1-[4-(trifluoromethyl)phenyl]indol-3-yl]methanol
SMILESNc1ccc2c(c1)c(CO)cn2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2O/c17-16(18,19)11-1-4-13(5-2-11)21-8-10(9-22)14-7-12(20)3-6-15(14)21/h1-8,22H,9,20H2
InChIKeyQHRPUIGGTDKIBP-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.72
Rot. Bonds2

About [5-amino-1-[4-(trifluoromethyl)phenyl]indol-3-yl]methanol

[5-amino-1-[4-(trifluoromethyl)phenyl]indol-3-yl]methanol (PubChem CID 156881298) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is [5-amino-1-[4-(trifluoromethyl)phenyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[5-amino-1-[4-(trifluoromethyl)phenyl]indol-3-yl]methanol
PubChem CID156881298
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name[5-amino-1-[4-(trifluoromethyl)phenyl]indol-3-yl]methanol
SMILESNc1ccc2c(c1)c(CO)cn2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2O/c17-16(18,19)11-1-4-13(5-2-11)21-8-10(9-22)14-7-12(20)3-6-15(14)21/h1-8,22H,9,20H2
InChIKeyQHRPUIGGTDKIBP-UHFFFAOYSA-N
XLogP3.72
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-[4-(trifluoromethyl)phenyl]indol-3-yl]methanol?
The IUPAC name of [5-amino-1-[4-(trifluoromethyl)phenyl]indol-3-yl]methanol (CID 156881298) is [5-amino-1-[4-(trifluoromethyl)phenyl]indol-3-yl]methanol.
What is the SMILES notation for [5-amino-1-[4-(trifluoromethyl)phenyl]indol-3-yl]methanol?
The canonical SMILES for [5-amino-1-[4-(trifluoromethyl)phenyl]indol-3-yl]methanol is Nc1ccc2c(c1)c(CO)cn2-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [5-amino-1-[4-(trifluoromethyl)phenyl]indol-3-yl]methanol?
The InChIKey is QHRPUIGGTDKIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c17-16(18,19)11-1-4-13(5-2-11)21-8-10(9-22)14-7-12(20)3-6-15(14)21/h1-8,22H,9,20H2.
What are the key properties of [5-amino-1-[4-(trifluoromethyl)phenyl]indol-3-yl]methanol?
[5-amino-1-[4-(trifluoromethyl)phenyl]indol-3-yl]methanol has a molecular weight of 306.29 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-[4-(trifluoromethyl)phenyl]indol-3-yl]methanol is sourced from PubChem (CID 156881298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).