2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

C11H12F5NO — CID 103864964

IUPAC2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1cc(F)ccc1F)CC(F)(F)F
InChIInChI=1S/C11H12F5NO/c12-9-1-2-10(13)8(5-9)6-17(3-4-18)7-11(14,15)16/h1-2,5,18H,3-4,6-7H2
InChIKeyDTQLHJZBSRWKCR-UHFFFAOYSA-N
MW269.21 g/mol
LogP2.32
Rot. Bonds5

About 2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103864964) has the molecular formula C11H12F5NO and a molecular weight of 269.21 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103864964
Molecular FormulaC11H12F5NO
Molecular Weight269.21 g/mol
Exact Mass269.08
IUPAC Name2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1cc(F)ccc1F)CC(F)(F)F
InChIInChI=1S/C11H12F5NO/c12-9-1-2-10(13)8(5-9)6-17(3-4-18)7-11(14,15)16/h1-2,5,18H,3-4,6-7H2
InChIKeyDTQLHJZBSRWKCR-UHFFFAOYSA-N
XLogP2.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzoxonium Chloride
CID 29563
Benzylethanolamine
CID 4348
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CID 7553
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CID 22657
N-Benzyl-N-methylethanolamine
CID 66876
2-[2-Hydroxyethyl-[(4-methylphenyl)methyl]amino]ethanol
CID 4219208
1-(4-Fluorobenzyl)-4-(2-Hydroxyethyl)Piperazine
CID 693807
3-(Benzylamino)-1,1,1-trifluoropropan-2-ol
CID 3787794
(R)-(+)-1-Benzyl-3-pyrrolidinol
CID 643472
3-(N-Benzyl-N-methylamino)propan-1-ol
CID 79884
1,1,1-Trifluoro-3-[[[2-(trifluoromethyl)phenyl]methyl]amino]-2-propanol
CID 2783073
2-[(2-Fluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 783973

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 103864964) is 2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is OCCN(Cc1cc(F)ccc1F)CC(F)(F)F.
What is the InChIKey of 2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is DTQLHJZBSRWKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5NO/c12-9-1-2-10(13)8(5-9)6-17(3-4-18)7-11(14,15)16/h1-2,5,18H,3-4,6-7H2.
What are the key properties of 2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 269.21 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103864964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).