2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol

C16H14F3NO — CID 102707826

IUPAC2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1cnccc1C(F)(F)F)C1Cc2ccccc2C1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)14-5-6-20-9-13(14)15(21)12-7-10-3-1-2-4-11(10)8-12/h1-6,9,12,15,21H,7-8H2
InChIKeyLMHUNSPVSXPHOP-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.55
Rot. Bonds2

About 2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol

2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 102707826) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID102707826
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1cnccc1C(F)(F)F)C1Cc2ccccc2C1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)14-5-6-20-9-13(14)15(21)12-7-10-3-1-2-4-11(10)8-12/h1-6,9,12,15,21H,7-8H2
InChIKeyLMHUNSPVSXPHOP-UHFFFAOYSA-N
XLogP3.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol (CID 102707826) is 2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol is OC(c1cnccc1C(F)(F)F)C1Cc2ccccc2C1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is LMHUNSPVSXPHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c17-16(18,19)14-5-6-20-9-13(14)15(21)12-7-10-3-1-2-4-11(10)8-12/h1-6,9,12,15,21H,7-8H2.
What are the key properties of 2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol?
2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 293.29 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 102707826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).