[3-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]quinolin-2-yl]methanol

C19H16F3NO — CID 175839122

IUPAC[3-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]quinolin-2-yl]methanol
SMILESOCc1nc2ccccc2cc1Cc1cccc(CC(F)(F)F)c1
InChIInChI=1S/C19H16F3NO/c20-19(21,22)11-14-5-3-4-13(8-14)9-16-10-15-6-1-2-7-17(15)23-18(16)12-24/h1-8,10,24H,9,11-12H2
InChIKeyOGVGCQUVTQTQLW-UHFFFAOYSA-N
MW331.34 g/mol
LogP4.42
Rot. Bonds4

About [3-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]quinolin-2-yl]methanol

[3-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]quinolin-2-yl]methanol (PubChem CID 175839122) has the molecular formula C19H16F3NO and a molecular weight of 331.34 g/mol. Its IUPAC name is [3-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]quinolin-2-yl]methanol.

Molecular Properties

Compound Name[3-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]quinolin-2-yl]methanol
PubChem CID175839122
Molecular FormulaC19H16F3NO
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name[3-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]quinolin-2-yl]methanol
SMILESOCc1nc2ccccc2cc1Cc1cccc(CC(F)(F)F)c1
InChIInChI=1S/C19H16F3NO/c20-19(21,22)11-14-5-3-4-13(8-14)9-16-10-15-6-1-2-7-17(15)23-18(16)12-24/h1-8,10,24H,9,11-12H2
InChIKeyOGVGCQUVTQTQLW-UHFFFAOYSA-N
XLogP4.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]quinolin-2-yl]methanol?
The IUPAC name of [3-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]quinolin-2-yl]methanol (CID 175839122) is [3-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]quinolin-2-yl]methanol.
What is the SMILES notation for [3-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]quinolin-2-yl]methanol?
The canonical SMILES for [3-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]quinolin-2-yl]methanol is OCc1nc2ccccc2cc1Cc1cccc(CC(F)(F)F)c1.
What is the InChIKey of [3-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]quinolin-2-yl]methanol?
The InChIKey is OGVGCQUVTQTQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO/c20-19(21,22)11-14-5-3-4-13(8-14)9-16-10-15-6-1-2-7-17(15)23-18(16)12-24/h1-8,10,24H,9,11-12H2.
What are the key properties of [3-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]quinolin-2-yl]methanol?
[3-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]quinolin-2-yl]methanol has a molecular weight of 331.34 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]quinolin-2-yl]methanol is sourced from PubChem (CID 175839122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).