2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol

C11H13ClF3NO — CID 112553506

IUPAC2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
SMILESCCN(Cc1cccc(Cl)c1O)CC(F)(F)F
InChIInChI=1S/C11H13ClF3NO/c1-2-16(7-11(13,14)15)6-8-4-3-5-9(12)10(8)17/h3-5,17H,2,6-7H2,1H3
InChIKeyZSYLBDPWAXMISE-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.43
Rot. Bonds4

About 2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol

2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol (PubChem CID 112553506) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
PubChem CID112553506
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
SMILESCCN(Cc1cccc(Cl)c1O)CC(F)(F)F
InChIInChI=1S/C11H13ClF3NO/c1-2-16(7-11(13,14)15)6-8-4-3-5-9(12)10(8)17/h3-5,17H,2,6-7H2,1H3
InChIKeyZSYLBDPWAXMISE-UHFFFAOYSA-N
XLogP3.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82982350
2,4-dichloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82981653
2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 102848141
3-chloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarbothioamide
CID 102666186
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 78924660
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 55010997
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
CID 63583548
methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate
CID 82968950
2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol
CID 112616167
3-chloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102666897
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63068298
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-2-carbothioamide
CID 62894793

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol (CID 112553506) is 2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol is CCN(Cc1cccc(Cl)c1O)CC(F)(F)F.
What is the InChIKey of 2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol?
The InChIKey is ZSYLBDPWAXMISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-2-16(7-11(13,14)15)6-8-4-3-5-9(12)10(8)17/h3-5,17H,2,6-7H2,1H3.
What are the key properties of 2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol?
2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol has a molecular weight of 267.68 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol is sourced from PubChem (CID 112553506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).