2-(2,3-dihydro-1H-indol-2-yl)-6,6,6-trifluorohexan-2-ol

C14H18F3NO — CID 116536013

IUPAC2-(2,3-dihydro-1H-indol-2-yl)-6,6,6-trifluorohexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)C1Cc2ccccc2N1
InChIInChI=1S/C14H18F3NO/c1-13(19,7-4-8-14(15,16)17)12-9-10-5-2-3-6-11(10)18-12/h2-3,5-6,12,18-19H,4,7-9H2,1H3
InChIKeyGKNKPHALNGCWCK-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.51
Rot. Bonds4

About 2-(2,3-dihydro-1H-indol-2-yl)-6,6,6-trifluorohexan-2-ol

2-(2,3-dihydro-1H-indol-2-yl)-6,6,6-trifluorohexan-2-ol (PubChem CID 116536013) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-2-yl)-6,6,6-trifluorohexan-2-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-2-yl)-6,6,6-trifluorohexan-2-ol
PubChem CID116536013
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-(2,3-dihydro-1H-indol-2-yl)-6,6,6-trifluorohexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)C1Cc2ccccc2N1
InChIInChI=1S/C14H18F3NO/c1-13(19,7-4-8-14(15,16)17)12-9-10-5-2-3-6-11(10)18-12/h2-3,5-6,12,18-19H,4,7-9H2,1H3
InChIKeyGKNKPHALNGCWCK-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-2-yl)-6,6,6-trifluorohexan-2-ol?
The IUPAC name of 2-(2,3-dihydro-1H-indol-2-yl)-6,6,6-trifluorohexan-2-ol (CID 116536013) is 2-(2,3-dihydro-1H-indol-2-yl)-6,6,6-trifluorohexan-2-ol.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-2-yl)-6,6,6-trifluorohexan-2-ol?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-2-yl)-6,6,6-trifluorohexan-2-ol is CC(O)(CCCC(F)(F)F)C1Cc2ccccc2N1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-2-yl)-6,6,6-trifluorohexan-2-ol?
The InChIKey is GKNKPHALNGCWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-13(19,7-4-8-14(15,16)17)12-9-10-5-2-3-6-11(10)18-12/h2-3,5-6,12,18-19H,4,7-9H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-indol-2-yl)-6,6,6-trifluorohexan-2-ol?
2-(2,3-dihydro-1H-indol-2-yl)-6,6,6-trifluorohexan-2-ol has a molecular weight of 273.30 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-2-yl)-6,6,6-trifluorohexan-2-ol is sourced from PubChem (CID 116536013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).