1-[5-fluoro-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-methylphenyl]ethanol

C13H17F4NO2 — CID 107481059

IUPAC1-[5-fluoro-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-methylphenyl]ethanol
SMILESCc1cc(N(CCO)CC(F)(F)F)c(C(C)O)cc1F
InChIInChI=1S/C13H17F4NO2/c1-8-5-12(10(9(2)20)6-11(8)14)18(3-4-19)7-13(15,16)17/h5-6,9,19-20H,3-4,7H2,1-2H3
InChIKeyHLTYKATYMFAMJP-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.55
Rot. Bonds5

About 1-[5-fluoro-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-methylphenyl]ethanol

1-[5-fluoro-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-methylphenyl]ethanol (PubChem CID 107481059) has the molecular formula C13H17F4NO2 and a molecular weight of 295.28 g/mol. Its IUPAC name is 1-[5-fluoro-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[5-fluoro-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-methylphenyl]ethanol
PubChem CID107481059
Molecular FormulaC13H17F4NO2
Molecular Weight295.28 g/mol
Exact Mass295.12
IUPAC Name1-[5-fluoro-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-methylphenyl]ethanol
SMILESCc1cc(N(CCO)CC(F)(F)F)c(C(C)O)cc1F
InChIInChI=1S/C13H17F4NO2/c1-8-5-12(10(9(2)20)6-11(8)14)18(3-4-19)7-13(15,16)17/h5-6,9,19-20H,3-4,7H2,1-2H3
InChIKeyHLTYKATYMFAMJP-UHFFFAOYSA-N
XLogP2.55
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxyethyl)-5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]phenol
CID 107481086
1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol
CID 112661699
2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481543
2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 112751860
(1S)-1-[5-fluoro-4-methyl-2-[methyl(2-methylprop-2-enyl)amino]phenyl]ethanol
CID 113498682
2-[2-(1-aminoethyl)-4-bromo-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107480596
(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
(1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol
CID 104873578
(1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 63371229
2-[4-(ethylaminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481554
2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol
CID 102863487
2-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol
CID 102863551

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-methylphenyl]ethanol?
The IUPAC name of 1-[5-fluoro-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-methylphenyl]ethanol (CID 107481059) is 1-[5-fluoro-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-methylphenyl]ethanol.
What is the SMILES notation for 1-[5-fluoro-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-methylphenyl]ethanol?
The canonical SMILES for 1-[5-fluoro-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-methylphenyl]ethanol is Cc1cc(N(CCO)CC(F)(F)F)c(C(C)O)cc1F.
What is the InChIKey of 1-[5-fluoro-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-methylphenyl]ethanol?
The InChIKey is HLTYKATYMFAMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4NO2/c1-8-5-12(10(9(2)20)6-11(8)14)18(3-4-19)7-13(15,16)17/h5-6,9,19-20H,3-4,7H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-methylphenyl]ethanol?
1-[5-fluoro-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-methylphenyl]ethanol has a molecular weight of 295.28 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-methylphenyl]ethanol is sourced from PubChem (CID 107481059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).