2-[2-amino-3-chloro-N-(2,2-difluoroethyl)anilino]ethanol

C10H13ClF2N2O — CID 107478240

IUPAC2-[2-amino-3-chloro-N-(2,2-difluoroethyl)anilino]ethanol
SMILESNc1c(Cl)cccc1N(CCO)CC(F)F
InChIInChI=1S/C10H13ClF2N2O/c11-7-2-1-3-8(10(7)14)15(4-5-16)6-9(12)13/h1-3,9,16H,4-6,14H2
InChIKeyJLHILYHLPPWWTP-UHFFFAOYSA-N
MW250.68 g/mol
LogP1.99
Rot. Bonds5

About 2-[2-amino-3-chloro-N-(2,2-difluoroethyl)anilino]ethanol

2-[2-amino-3-chloro-N-(2,2-difluoroethyl)anilino]ethanol (PubChem CID 107478240) has the molecular formula C10H13ClF2N2O and a molecular weight of 250.68 g/mol. Its IUPAC name is 2-[2-amino-3-chloro-N-(2,2-difluoroethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[2-amino-3-chloro-N-(2,2-difluoroethyl)anilino]ethanol
PubChem CID107478240
Molecular FormulaC10H13ClF2N2O
Molecular Weight250.68 g/mol
Exact Mass250.07
IUPAC Name2-[2-amino-3-chloro-N-(2,2-difluoroethyl)anilino]ethanol
SMILESNc1c(Cl)cccc1N(CCO)CC(F)F
InChIInChI=1S/C10H13ClF2N2O/c11-7-2-1-3-8(10(7)14)15(4-5-16)6-9(12)13/h1-3,9,16H,4-6,14H2
InChIKeyJLHILYHLPPWWTP-UHFFFAOYSA-N
XLogP1.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[2-amino-3-chloro-N-(2,2-difluoroethyl)anilino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-chloro-N-(2,2-difluoroethyl)anilino]ethanol?
The IUPAC name of 2-[2-amino-3-chloro-N-(2,2-difluoroethyl)anilino]ethanol (CID 107478240) is 2-[2-amino-3-chloro-N-(2,2-difluoroethyl)anilino]ethanol.
What is the SMILES notation for 2-[2-amino-3-chloro-N-(2,2-difluoroethyl)anilino]ethanol?
The canonical SMILES for 2-[2-amino-3-chloro-N-(2,2-difluoroethyl)anilino]ethanol is Nc1c(Cl)cccc1N(CCO)CC(F)F.
What is the InChIKey of 2-[2-amino-3-chloro-N-(2,2-difluoroethyl)anilino]ethanol?
The InChIKey is JLHILYHLPPWWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF2N2O/c11-7-2-1-3-8(10(7)14)15(4-5-16)6-9(12)13/h1-3,9,16H,4-6,14H2.
What are the key properties of 2-[2-amino-3-chloro-N-(2,2-difluoroethyl)anilino]ethanol?
2-[2-amino-3-chloro-N-(2,2-difluoroethyl)anilino]ethanol has a molecular weight of 250.68 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-chloro-N-(2,2-difluoroethyl)anilino]ethanol is sourced from PubChem (CID 107478240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).