[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol

C18H13F6NO — CID 86636105

IUPAC[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol
SMILESOCc1cn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C18H13F6NO/c19-17(20,21)13-5-11(6-14(7-13)18(22,23)24)8-25-9-12(10-26)15-3-1-2-4-16(15)25/h1-7,9,26H,8,10H2
InChIKeyHUNUNISKFMIHMU-UHFFFAOYSA-N
MW373.30 g/mol
LogP5.22
Rot. Bonds3

About [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol

[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol (PubChem CID 86636105) has the molecular formula C18H13F6NO and a molecular weight of 373.30 g/mol. Its IUPAC name is [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol
PubChem CID86636105
Molecular FormulaC18H13F6NO
Molecular Weight373.30 g/mol
Exact Mass373.09
IUPAC Name[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol
SMILESOCc1cn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C18H13F6NO/c19-17(20,21)13-5-11(6-14(7-13)18(22,23)24)8-25-9-12(10-26)15-3-1-2-4-16(15)25/h1-7,9,26H,8,10H2
InChIKeyHUNUNISKFMIHMU-UHFFFAOYSA-N
XLogP5.22
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.30
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol?
The IUPAC name of [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol (CID 86636105) is [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol.
What is the SMILES notation for [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol?
The canonical SMILES for [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol is OCc1cn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc12.
What is the InChIKey of [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol?
The InChIKey is HUNUNISKFMIHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F6NO/c19-17(20,21)13-5-11(6-14(7-13)18(22,23)24)8-25-9-12(10-26)15-3-1-2-4-16(15)25/h1-7,9,26H,8,10H2.
What are the key properties of [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol?
[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol has a molecular weight of 373.30 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3,5-bis(trifluoromethyl)phenyl]methyl]indol-3-yl]methanol is sourced from PubChem (CID 86636105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).