2,4-dichloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol

C11H12Cl2F3NO — CID 82981653

IUPAC2,4-dichloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
SMILESCCN(Cc1cc(Cl)cc(Cl)c1O)CC(F)(F)F
InChIInChI=1S/C11H12Cl2F3NO/c1-2-17(6-11(14,15)16)5-7-3-8(12)4-9(13)10(7)18/h3-4,18H,2,5-6H2,1H3
InChIKeyFZYPOHBSENBSCL-UHFFFAOYSA-N
MW302.12 g/mol
LogP4.08
Rot. Bonds4

About 2,4-dichloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol

2,4-dichloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol (PubChem CID 82981653) has the molecular formula C11H12Cl2F3NO and a molecular weight of 302.12 g/mol. Its IUPAC name is 2,4-dichloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
PubChem CID82981653
Molecular FormulaC11H12Cl2F3NO
Molecular Weight302.12 g/mol
Exact Mass301.02
IUPAC Name2,4-dichloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
SMILESCCN(Cc1cc(Cl)cc(Cl)c1O)CC(F)(F)F
InChIInChI=1S/C11H12Cl2F3NO/c1-2-17(6-11(14,15)16)5-7-3-8(12)4-9(13)10(7)18/h3-4,18H,2,5-6H2,1H3
InChIKeyFZYPOHBSENBSCL-UHFFFAOYSA-N
XLogP4.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 112553506
2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol
CID 82978878
2-[[bis(2-ethoxyethyl)amino]methyl]-4,6-dichlorophenol
CID 82966178
3-chloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102666897
3-chloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarbothioamide
CID 102666186
2,6-dichloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 82832762
2,4-dichloro-6-[(N-ethylanilino)methyl]phenol
CID 82974543
2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82982350
2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide
CID 82978834
N-(2-bromoethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine
CID 107488497
N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine
CID 107489074
2-[(Z)-but-2-enyl]-4,6-dichlorophenol
CID 92532445

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol (CID 82981653) is 2,4-dichloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol is CCN(Cc1cc(Cl)cc(Cl)c1O)CC(F)(F)F.
What is the InChIKey of 2,4-dichloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol?
The InChIKey is FZYPOHBSENBSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2F3NO/c1-2-17(6-11(14,15)16)5-7-3-8(12)4-9(13)10(7)18/h3-4,18H,2,5-6H2,1H3.
What are the key properties of 2,4-dichloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol?
2,4-dichloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol has a molecular weight of 302.12 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol is sourced from PubChem (CID 82981653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).