(2S)-4,4,4-trifluoro-1-(6-fluoroquinolin-3-yl)oxybutan-2-ol

C13H11F4NO2 — CID 125141585

IUPAC(2S)-4,4,4-trifluoro-1-(6-fluoroquinolin-3-yl)oxybutan-2-ol
SMILESO[C@H](COc1cnc2ccc(F)cc2c1)CC(F)(F)F
InChIInChI=1S/C13H11F4NO2/c14-9-1-2-12-8(3-9)4-11(6-18-12)20-7-10(19)5-13(15,16)17/h1-4,6,10,19H,5,7H2/t10-/m0/s1
InChIKeyNOUCBCBRKFPTMG-JTQLQIEISA-N
MW289.23 g/mol
LogP3.07
Rot. Bonds4

About (2S)-4,4,4-trifluoro-1-(6-fluoroquinolin-3-yl)oxybutan-2-ol

(2S)-4,4,4-trifluoro-1-(6-fluoroquinolin-3-yl)oxybutan-2-ol (PubChem CID 125141585) has the molecular formula C13H11F4NO2 and a molecular weight of 289.23 g/mol. Its IUPAC name is (2S)-4,4,4-trifluoro-1-(6-fluoroquinolin-3-yl)oxybutan-2-ol.

Molecular Properties

Compound Name(2S)-4,4,4-trifluoro-1-(6-fluoroquinolin-3-yl)oxybutan-2-ol
PubChem CID125141585
Molecular FormulaC13H11F4NO2
Molecular Weight289.23 g/mol
Exact Mass289.07
IUPAC Name(2S)-4,4,4-trifluoro-1-(6-fluoroquinolin-3-yl)oxybutan-2-ol
SMILESO[C@H](COc1cnc2ccc(F)cc2c1)CC(F)(F)F
InChIInChI=1S/C13H11F4NO2/c14-9-1-2-12-8(3-9)4-11(6-18-12)20-7-10(19)5-13(15,16)17/h1-4,6,10,19H,5,7H2/t10-/m0/s1
InChIKeyNOUCBCBRKFPTMG-JTQLQIEISA-N
XLogP3.07
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethoxyphenoxy)-4,4,4-trifluorobutan-2-ol
CID 166218971
1-(3-chlorophenoxy)-4,4,4-trifluorobutan-2-ol
CID 167854837
6-ethoxy-3-fluoroquinoline
CID 90101959
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
4,4,4-trifluoro-1-(4-propylphenoxy)butan-2-ol
CID 167828364
6-fluoroquinolin-3-amine
CID 22458712
6-fluoro-3-propan-2-ylquinoline
CID 90132820
(7-fluoroquinolin-3-yl) trifluoromethanesulfonate
CID 10063077
4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol
CID 119039533
(2R)-4,4,4-trifluoro-1-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]butan-2-ol
CID 100673610
1-fluoro-3-[7-[6-(methylamino)-3-pyridinyl]quinolin-3-yl]oxypropan-2-ol
CID 178090534
3-(3,3,3-trifluoropropoxy)quinoline
CID 102846999

Frequently Asked Questions

What is the IUPAC name of (2S)-4,4,4-trifluoro-1-(6-fluoroquinolin-3-yl)oxybutan-2-ol?
The IUPAC name of (2S)-4,4,4-trifluoro-1-(6-fluoroquinolin-3-yl)oxybutan-2-ol (CID 125141585) is (2S)-4,4,4-trifluoro-1-(6-fluoroquinolin-3-yl)oxybutan-2-ol.
What is the SMILES notation for (2S)-4,4,4-trifluoro-1-(6-fluoroquinolin-3-yl)oxybutan-2-ol?
The canonical SMILES for (2S)-4,4,4-trifluoro-1-(6-fluoroquinolin-3-yl)oxybutan-2-ol is O[C@H](COc1cnc2ccc(F)cc2c1)CC(F)(F)F.
What is the InChIKey of (2S)-4,4,4-trifluoro-1-(6-fluoroquinolin-3-yl)oxybutan-2-ol?
The InChIKey is NOUCBCBRKFPTMG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H11F4NO2/c14-9-1-2-12-8(3-9)4-11(6-18-12)20-7-10(19)5-13(15,16)17/h1-4,6,10,19H,5,7H2/t10-/m0/s1.
What are the key properties of (2S)-4,4,4-trifluoro-1-(6-fluoroquinolin-3-yl)oxybutan-2-ol?
(2S)-4,4,4-trifluoro-1-(6-fluoroquinolin-3-yl)oxybutan-2-ol has a molecular weight of 289.23 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4,4-trifluoro-1-(6-fluoroquinolin-3-yl)oxybutan-2-ol is sourced from PubChem (CID 125141585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).