2-(2-amino-5-chlorophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol

C10H12ClF3N2O — CID 59947987

IUPAC2-(2-amino-5-chlorophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol
SMILESCNCC(O)(c1cc(Cl)ccc1N)C(F)(F)F
InChIInChI=1S/C10H12ClF3N2O/c1-16-5-9(17,10(12,13)14)7-4-6(11)2-3-8(7)15/h2-4,16-17H,5,15H2,1H3
InChIKeySXVOWVSIDDXUBP-UHFFFAOYSA-N
MW268.67 g/mol
LogP1.89
Rot. Bonds3

About 2-(2-amino-5-chlorophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol

2-(2-amino-5-chlorophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol (PubChem CID 59947987) has the molecular formula C10H12ClF3N2O and a molecular weight of 268.67 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol
PubChem CID59947987
Molecular FormulaC10H12ClF3N2O
Molecular Weight268.67 g/mol
Exact Mass268.06
IUPAC Name2-(2-amino-5-chlorophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol
SMILESCNCC(O)(c1cc(Cl)ccc1N)C(F)(F)F
InChIInChI=1S/C10H12ClF3N2O/c1-16-5-9(17,10(12,13)14)7-4-6(11)2-3-8(7)15/h2-4,16-17H,5,15H2,1H3
InChIKeySXVOWVSIDDXUBP-UHFFFAOYSA-N
XLogP1.89
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 51.89
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-(2-amino-5-chlorophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol?
The IUPAC name of 2-(2-amino-5-chlorophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol (CID 59947987) is 2-(2-amino-5-chlorophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol.
What is the SMILES notation for 2-(2-amino-5-chlorophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol?
The canonical SMILES for 2-(2-amino-5-chlorophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol is CNCC(O)(c1cc(Cl)ccc1N)C(F)(F)F.
What is the InChIKey of 2-(2-amino-5-chlorophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol?
The InChIKey is SXVOWVSIDDXUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O/c1-16-5-9(17,10(12,13)14)7-4-6(11)2-3-8(7)15/h2-4,16-17H,5,15H2,1H3.
What are the key properties of 2-(2-amino-5-chlorophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol?
2-(2-amino-5-chlorophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol has a molecular weight of 268.67 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorophenyl)-1,1,1-trifluoro-3-(methylamino)propan-2-ol is sourced from PubChem (CID 59947987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).