[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol

C10H12F3NO — CID 83962679

IUPAC[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol
SMILESOCc1ccc(CNCC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)7-14-5-8-1-3-9(6-15)4-2-8/h1-4,14-15H,5-7H2
InChIKeyILAIBVFPVFUFLX-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.83
Rot. Bonds4

About [4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol

[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol (PubChem CID 83962679) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is [4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol
PubChem CID83962679
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol
SMILESOCc1ccc(CNCC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)7-14-5-8-1-3-9(6-15)4-2-8/h1-4,14-15H,5-7H2
InChIKeyILAIBVFPVFUFLX-UHFFFAOYSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine
CID 24704089
[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenyl]methanol
CID 113365792
[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol
CID 113365773
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43755063
3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol
CID 104857699
2,2,2-trifluoro-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62120717
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine
CID 60997427
N-[(4-bromo-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 66472165
4-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylbutan-2-ol
CID 107230759
[4-[(cyclopropylmethylamino)methyl]phenyl]methanol
CID 83962663
3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol
CID 115524181
[4-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol
CID 83962635

Frequently Asked Questions

What is the IUPAC name of [4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol?
The IUPAC name of [4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol (CID 83962679) is [4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol is OCc1ccc(CNCC(F)(F)F)cc1.
What is the InChIKey of [4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol?
The InChIKey is ILAIBVFPVFUFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)7-14-5-8-1-3-9(6-15)4-2-8/h1-4,14-15H,5-7H2.
What are the key properties of [4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol?
[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol has a molecular weight of 219.21 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol is sourced from PubChem (CID 83962679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).