1-quinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol

C14H14F3NO2 — CID 103216898

IUPAC1-quinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESOC(COCC(F)(F)F)Cc1ccnc2ccccc12
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)9-20-8-11(19)7-10-5-6-18-13-4-2-1-3-12(10)13/h1-6,11,19H,7-9H2
InChIKeyNHYOOKHWGUQBPZ-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.72
Rot. Bonds5

About 1-quinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol

1-quinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol (PubChem CID 103216898) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is 1-quinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name1-quinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol
PubChem CID103216898
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name1-quinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESOC(COCC(F)(F)F)Cc1ccnc2ccccc12
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)9-20-8-11(19)7-10-5-6-18-13-4-2-1-3-12(10)13/h1-6,11,19H,7-9H2
InChIKeyNHYOOKHWGUQBPZ-UHFFFAOYSA-N
XLogP2.72
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-ol
CID 103547520
(5,5,5-trifluoro-1-quinolin-4-ylpentan-2-yl)hydrazine
CID 105248989
5,5,5-trifluoro-N-methyl-1-quinolin-4-ylpentan-2-amine
CID 79954929
4-(diethylamino)-1-quinolin-4-ylbutan-2-ol
CID 79087937
1-cycloheptyl-3-quinolin-4-ylpropan-2-ol
CID 115812509
1-cyclopropyl-2-quinolin-4-ylethanol
CID 63353390
4-(2-ethylbutyl)quinoline
CID 143495355
1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216652
1-(2-iodophenyl)-2-quinolin-4-ylethanamine
CID 104997408
1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216730
1-(2-chlorophenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 167743089
3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal
CID 19824915

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The IUPAC name of 1-quinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol (CID 103216898) is 1-quinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol.
What is the SMILES notation for 1-quinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The canonical SMILES for 1-quinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol is OC(COCC(F)(F)F)Cc1ccnc2ccccc12.
What is the InChIKey of 1-quinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The InChIKey is NHYOOKHWGUQBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c15-14(16,17)9-20-8-11(19)7-10-5-6-18-13-4-2-1-3-12(10)13/h1-6,11,19H,7-9H2.
What are the key properties of 1-quinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol?
1-quinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol has a molecular weight of 285.26 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol is sourced from PubChem (CID 103216898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).