[3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol

C16H16F3NO — CID 107230552

IUPAC[3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNC(c2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)15(14-7-2-1-3-8-14)20-10-12-5-4-6-13(9-12)11-21/h1-9,15,20-21H,10-11H2
InChIKeyFESKNXMIDHHONT-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.57
Rot. Bonds5

About [3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol

[3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol (PubChem CID 107230552) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is [3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol
PubChem CID107230552
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name[3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNC(c2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)15(14-7-2-1-3-8-14)20-10-12-5-4-6-13(9-12)11-21/h1-9,15,20-21H,10-11H2
InChIKeyFESKNXMIDHHONT-UHFFFAOYSA-N
XLogP3.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol (CID 107230552) is [3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol is OCc1cccc(CNC(c2ccccc2)C(F)(F)F)c1.
What is the InChIKey of [3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol?
The InChIKey is FESKNXMIDHHONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)15(14-7-2-1-3-8-14)20-10-12-5-4-6-13(9-12)11-21/h1-9,15,20-21H,10-11H2.
What are the key properties of [3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol?
[3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol has a molecular weight of 295.30 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107230552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).