2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

C11H12ClF4NO — CID 102848141

IUPAC2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1cccc(Cl)c1F)CC(F)(F)F
InChIInChI=1S/C11H12ClF4NO/c12-9-3-1-2-8(10(9)13)6-17(4-5-18)7-11(14,15)16/h1-3,18H,4-7H2
InChIKeyLNQYKIBNSFCCKS-UHFFFAOYSA-N
MW285.67 g/mol
LogP2.84
Rot. Bonds5

About 2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 102848141) has the molecular formula C11H12ClF4NO and a molecular weight of 285.67 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID102848141
Molecular FormulaC11H12ClF4NO
Molecular Weight285.67 g/mol
Exact Mass285.05
IUPAC Name2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1cccc(Cl)c1F)CC(F)(F)F
InChIInChI=1S/C11H12ClF4NO/c12-9-3-1-2-8(10(9)13)6-17(4-5-18)7-11(14,15)16/h1-3,18H,4-7H2
InChIKeyLNQYKIBNSFCCKS-UHFFFAOYSA-N
XLogP2.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.67
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3-chloro-2-fluorophenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 169245512
2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol
CID 103881517
2-[(2-chloro-4-methylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107485767
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide
CID 107485874
2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864964
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
CID 107493149
4-fluoro-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzoic acid
CID 107480934
2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 112553506
3-[(2-chloro-4-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111022286
N-[(3-chloro-2-fluorophenyl)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)formamide
CID 146146173
2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 107347369
2-[(6-chloropyridazin-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107479168

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 102848141) is 2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is OCCN(Cc1cccc(Cl)c1F)CC(F)(F)F.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is LNQYKIBNSFCCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF4NO/c12-9-3-1-2-8(10(9)13)6-17(4-5-18)7-11(14,15)16/h1-3,18H,4-7H2.
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 285.67 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 102848141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).