[1-(3,3,3-trifluoropropyl)indol-4-yl]methanol

C12H12F3NO — CID 64566330

IUPAC[1-(3,3,3-trifluoropropyl)indol-4-yl]methanol
SMILESOCc1cccc2c1ccn2CCC(F)(F)F
InChIInChI=1S/C12H12F3NO/c13-12(14,15)5-7-16-6-4-10-9(8-17)2-1-3-11(10)16/h1-4,6,17H,5,7-8H2
InChIKeyHTHRZMBSFNUEAJ-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.09
Rot. Bonds3

About [1-(3,3,3-trifluoropropyl)indol-4-yl]methanol

[1-(3,3,3-trifluoropropyl)indol-4-yl]methanol (PubChem CID 64566330) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is [1-(3,3,3-trifluoropropyl)indol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3,3,3-trifluoropropyl)indol-4-yl]methanol
PubChem CID64566330
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name[1-(3,3,3-trifluoropropyl)indol-4-yl]methanol
SMILESOCc1cccc2c1ccn2CCC(F)(F)F
InChIInChI=1S/C12H12F3NO/c13-12(14,15)5-7-16-6-4-10-9(8-17)2-1-3-11(10)16/h1-4,6,17H,5,7-8H2
InChIKeyHTHRZMBSFNUEAJ-UHFFFAOYSA-N
XLogP3.09
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3,3,3-trifluoropropyl)indol-4-yl]methanol?
The IUPAC name of [1-(3,3,3-trifluoropropyl)indol-4-yl]methanol (CID 64566330) is [1-(3,3,3-trifluoropropyl)indol-4-yl]methanol.
What is the SMILES notation for [1-(3,3,3-trifluoropropyl)indol-4-yl]methanol?
The canonical SMILES for [1-(3,3,3-trifluoropropyl)indol-4-yl]methanol is OCc1cccc2c1ccn2CCC(F)(F)F.
What is the InChIKey of [1-(3,3,3-trifluoropropyl)indol-4-yl]methanol?
The InChIKey is HTHRZMBSFNUEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c13-12(14,15)5-7-16-6-4-10-9(8-17)2-1-3-11(10)16/h1-4,6,17H,5,7-8H2.
What are the key properties of [1-(3,3,3-trifluoropropyl)indol-4-yl]methanol?
[1-(3,3,3-trifluoropropyl)indol-4-yl]methanol has a molecular weight of 243.23 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3,3-trifluoropropyl)indol-4-yl]methanol is sourced from PubChem (CID 64566330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).