[2,8-bis(trifluoromethyl)quinolin-4-yl]methanol

C12H7F6NO — CID 3085941

IUPAC[2,8-bis(trifluoromethyl)quinolin-4-yl]methanol
SMILESOCc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C12H7F6NO/c13-11(14,15)8-3-1-2-7-6(5-20)4-9(12(16,17)18)19-10(7)8/h1-4,20H,5H2
InChIKeyBWQUVOQHTSQBHD-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.76
Rot. Bonds1

About [2,8-bis(trifluoromethyl)quinolin-4-yl]methanol

[2,8-bis(trifluoromethyl)quinolin-4-yl]methanol (PubChem CID 3085941) has the molecular formula C12H7F6NO and a molecular weight of 295.18 g/mol. Its IUPAC name is [2,8-bis(trifluoromethyl)quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2,8-bis(trifluoromethyl)quinolin-4-yl]methanol
PubChem CID3085941
Molecular FormulaC12H7F6NO
Molecular Weight295.18 g/mol
Exact Mass295.04
IUPAC Name[2,8-bis(trifluoromethyl)quinolin-4-yl]methanol
SMILESOCc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C12H7F6NO/c13-11(14,15)8-3-1-2-7-6(5-20)4-9(12(16,17)18)19-10(7)8/h1-4,20H,5H2
InChIKeyBWQUVOQHTSQBHD-UHFFFAOYSA-N
XLogP3.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,8-bis(trifluoromethyl)quinolin-4-yl]methanol?
The IUPAC name of [2,8-bis(trifluoromethyl)quinolin-4-yl]methanol (CID 3085941) is [2,8-bis(trifluoromethyl)quinolin-4-yl]methanol.
What is the SMILES notation for [2,8-bis(trifluoromethyl)quinolin-4-yl]methanol?
The canonical SMILES for [2,8-bis(trifluoromethyl)quinolin-4-yl]methanol is OCc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of [2,8-bis(trifluoromethyl)quinolin-4-yl]methanol?
The InChIKey is BWQUVOQHTSQBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F6NO/c13-11(14,15)8-3-1-2-7-6(5-20)4-9(12(16,17)18)19-10(7)8/h1-4,20H,5H2.
What are the key properties of [2,8-bis(trifluoromethyl)quinolin-4-yl]methanol?
[2,8-bis(trifluoromethyl)quinolin-4-yl]methanol has a molecular weight of 295.18 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,8-bis(trifluoromethyl)quinolin-4-yl]methanol is sourced from PubChem (CID 3085941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).