2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol

C10H11F4NO — CID 115406681

IUPAC2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
SMILESOC(CNCC(F)F)c1c(F)cccc1F
InChIInChI=1S/C10H11F4NO/c11-6-2-1-3-7(12)10(6)8(16)4-15-5-9(13)14/h1-3,8-9,15-16H,4-5H2
InChIKeyZRKSBPGNYVFGEX-UHFFFAOYSA-N
MW237.20 g/mol
LogP1.85
Rot. Bonds5

About 2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol

2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol (PubChem CID 115406681) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
PubChem CID115406681
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
SMILESOC(CNCC(F)F)c1c(F)cccc1F
InChIInChI=1S/C10H11F4NO/c11-6-2-1-3-7(12)10(6)8(16)4-15-5-9(13)14/h1-3,8-9,15-16H,4-5H2
InChIKeyZRKSBPGNYVFGEX-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol 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

1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285685
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674
1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol
CID 63794992
5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131236
2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol
CID 61074855
1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol
CID 60898591
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N-propan-2-ylacetamide
CID 54938590
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-N,N-dimethylacetamide
CID 60901983
1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol
CID 63711662
1-(2,6-difluorophenyl)-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 111449301
1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol
CID 115644826
1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene
CID 111450119

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol?
The IUPAC name of 2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol (CID 115406681) is 2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol is OC(CNCC(F)F)c1c(F)cccc1F.
What is the InChIKey of 2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol?
The InChIKey is ZRKSBPGNYVFGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO/c11-6-2-1-3-7(12)10(6)8(16)4-15-5-9(13)14/h1-3,8-9,15-16H,4-5H2.
What are the key properties of 2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol?
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol has a molecular weight of 237.20 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 115406681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).