3-[7-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol

C12H11F4NO — CID 84638462

IUPAC3-[7-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol
SMILESOCCCc1c(C(F)(F)F)[nH]c2c(F)cccc12
InChIInChI=1S/C12H11F4NO/c13-9-5-1-3-7-8(4-2-6-18)11(12(14,15)16)17-10(7)9/h1,3,5,17-18H,2,4,6H2
InChIKeyFFJKGUJMXCDOPW-UHFFFAOYSA-N
MW261.22 g/mol
LogP3.25
Rot. Bonds3

About 3-[7-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol

3-[7-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol (PubChem CID 84638462) has the molecular formula C12H11F4NO and a molecular weight of 261.22 g/mol. Its IUPAC name is 3-[7-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[7-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol
PubChem CID84638462
Molecular FormulaC12H11F4NO
Molecular Weight261.22 g/mol
Exact Mass261.08
IUPAC Name3-[7-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol
SMILESOCCCc1c(C(F)(F)F)[nH]c2c(F)cccc12
InChIInChI=1S/C12H11F4NO/c13-9-5-1-3-7-8(4-2-6-18)11(12(14,15)16)17-10(7)9/h1,3,5,17-18H,2,4,6H2
InChIKeyFFJKGUJMXCDOPW-UHFFFAOYSA-N
XLogP3.25
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[7-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol?
The IUPAC name of 3-[7-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol (CID 84638462) is 3-[7-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[7-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol?
The canonical SMILES for 3-[7-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol is OCCCc1c(C(F)(F)F)[nH]c2c(F)cccc12.
What is the InChIKey of 3-[7-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol?
The InChIKey is FFJKGUJMXCDOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4NO/c13-9-5-1-3-7-8(4-2-6-18)11(12(14,15)16)17-10(7)9/h1,3,5,17-18H,2,4,6H2.
What are the key properties of 3-[7-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol?
3-[7-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol has a molecular weight of 261.22 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol is sourced from PubChem (CID 84638462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).