2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol

C18H14F3NO — CID 2778952

IUPAC2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccc2ccccc2n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3NO/c19-18(20,21)14-8-5-13(6-9-14)17(23)11-15-10-7-12-3-1-2-4-16(12)22-15/h1-10,17,23H,11H2
InChIKeyTWXZARYDNLBGFM-UHFFFAOYSA-N
MW317.31 g/mol
LogP4.53
Rot. Bonds3

About 2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol

2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 2778952) has the molecular formula C18H14F3NO and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID2778952
Molecular FormulaC18H14F3NO
Molecular Weight317.31 g/mol
Exact Mass317.10
IUPAC Name2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccc2ccccc2n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3NO/c19-18(20,21)14-8-5-13(6-9-14)17(23)11-15-10-7-12-3-1-2-4-16(12)22-15/h1-10,17,23H,11H2
InChIKeyTWXZARYDNLBGFM-UHFFFAOYSA-N
XLogP4.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol (CID 2778952) is 2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol is OC(Cc1ccc2ccccc2n1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is TWXZARYDNLBGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO/c19-18(20,21)14-8-5-13(6-9-14)17(23)11-15-10-7-12-3-1-2-4-16(12)22-15/h1-10,17,23H,11H2.
What are the key properties of 2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol?
2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 317.31 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 2778952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).