(1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol

C13H9F6NO — CID 125493987

IUPAC(1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
SMILESC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C13H9F6NO/c1-6(21)8-5-10(13(17,18)19)20-11-7(8)3-2-4-9(11)12(14,15)16/h2-6,21H,1H3/t6-/m1/s1
InChIKeyFVTIYXAPPQEGHG-ZCFIWIBFSA-N
MW309.21 g/mol
LogP4.33
Rot. Bonds1

About (1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol

(1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol (PubChem CID 125493987) has the molecular formula C13H9F6NO and a molecular weight of 309.21 g/mol. Its IUPAC name is (1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
PubChem CID125493987
Molecular FormulaC13H9F6NO
Molecular Weight309.21 g/mol
Exact Mass309.06
IUPAC Name(1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
SMILESC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C13H9F6NO/c1-6(21)8-5-10(13(17,18)19)20-11-7(8)3-2-4-9(11)12(14,15)16/h2-6,21H,1H3/t6-/m1/s1
InChIKeyFVTIYXAPPQEGHG-ZCFIWIBFSA-N
XLogP4.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 46897345
CID 46897345
[2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol
CID 59451320
(2S,3S)-2-amino-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-methylpentan-1-ol
CID 91400299
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-butoxyethanol
CID 46232979
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-pyrrolidin-1-ylethanol
CID 23004032
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[1-(tert-butylamino)propan-2-ylamino]ethanol
CID 54577873
2-[2-aminoethyl(methyl)amino]-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 54577658
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol
CID 59084682
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(octylamino)ethanol
CID 88920621
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol
CID 54578090
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(but-3-ynylamino)ethanol
CID 155566747
2-(3-aminopropylamino)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 155554789

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol?
The IUPAC name of (1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol (CID 125493987) is (1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol.
What is the SMILES notation for (1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol?
The canonical SMILES for (1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol is C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of (1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol?
The InChIKey is FVTIYXAPPQEGHG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C13H9F6NO/c1-6(21)8-5-10(13(17,18)19)20-11-7(8)3-2-4-9(11)12(14,15)16/h2-6,21H,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol?
(1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol has a molecular weight of 309.21 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol is sourced from PubChem (CID 125493987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).