4-[[ethyl(trifluoromethyl)amino]methyl]phenol

C10H12F3NO — CID 71635212

IUPAC4-[[ethyl(trifluoromethyl)amino]methyl]phenol
SMILESCCN(Cc1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-2-14(10(11,12)13)7-8-3-5-9(15)6-4-8/h3-6,15H,2,7H2,1H3
InChIKeyAMCZNLSTBWJEOG-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.73
Rot. Bonds3

About 4-[[ethyl(trifluoromethyl)amino]methyl]phenol

4-[[ethyl(trifluoromethyl)amino]methyl]phenol (PubChem CID 71635212) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 4-[[ethyl(trifluoromethyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[ethyl(trifluoromethyl)amino]methyl]phenol
PubChem CID71635212
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name4-[[ethyl(trifluoromethyl)amino]methyl]phenol
SMILESCCN(Cc1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-2-14(10(11,12)13)7-8-3-5-9(15)6-4-8/h3-6,15H,2,7H2,1H3
InChIKeyAMCZNLSTBWJEOG-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(trifluoromethyl)amino]methyl]phenol?
The IUPAC name of 4-[[ethyl(trifluoromethyl)amino]methyl]phenol (CID 71635212) is 4-[[ethyl(trifluoromethyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[ethyl(trifluoromethyl)amino]methyl]phenol?
The canonical SMILES for 4-[[ethyl(trifluoromethyl)amino]methyl]phenol is CCN(Cc1ccc(O)cc1)C(F)(F)F.
What is the InChIKey of 4-[[ethyl(trifluoromethyl)amino]methyl]phenol?
The InChIKey is AMCZNLSTBWJEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-2-14(10(11,12)13)7-8-3-5-9(15)6-4-8/h3-6,15H,2,7H2,1H3.
What are the key properties of 4-[[ethyl(trifluoromethyl)amino]methyl]phenol?
4-[[ethyl(trifluoromethyl)amino]methyl]phenol has a molecular weight of 219.21 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(trifluoromethyl)amino]methyl]phenol is sourced from PubChem (CID 71635212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).