2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]ethanol

C9H10ClF3N2O — CID 15067174

IUPAC2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]ethanol
SMILESNCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1
InChIInChI=1S/C9H10ClF3N2O/c10-6-2-4(7(16)3-14)1-5(8(6)15)9(11,12)13/h1-2,7,16H,3,14-15H2
InChIKeyQDEITXRBCKAPDX-UHFFFAOYSA-N
MW254.64 g/mol
LogP1.93
Rot. Bonds2

About 2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]ethanol

2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]ethanol (PubChem CID 15067174) has the molecular formula C9H10ClF3N2O and a molecular weight of 254.64 g/mol. Its IUPAC name is 2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]ethanol
PubChem CID15067174
Molecular FormulaC9H10ClF3N2O
Molecular Weight254.64 g/mol
Exact Mass254.04
IUPAC Name2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]ethanol
SMILESNCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1
InChIInChI=1S/C9H10ClF3N2O/c10-6-2-4(7(16)3-14)1-5(8(6)15)9(11,12)13/h1-2,7,16H,3,14-15H2
InChIKeyQDEITXRBCKAPDX-UHFFFAOYSA-N
XLogP1.93
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]ethanol (CID 15067174) is 2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]ethanol is NCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1.
What is the InChIKey of 2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]ethanol?
The InChIKey is QDEITXRBCKAPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O/c10-6-2-4(7(16)3-14)1-5(8(6)15)9(11,12)13/h1-2,7,16H,3,14-15H2.
What are the key properties of 2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]ethanol?
2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]ethanol has a molecular weight of 254.64 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 15067174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).