3-amino-2-(2-amino-5-chlorophenyl)-1,1,1-trifluoropropan-2-ol

C9H10ClF3N2O — CID 21018272

IUPAC3-amino-2-(2-amino-5-chlorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESNCC(O)(c1cc(Cl)ccc1N)C(F)(F)F
InChIInChI=1S/C9H10ClF3N2O/c10-5-1-2-7(15)6(3-5)8(16,4-14)9(11,12)13/h1-3,16H,4,14-15H2
InChIKeyUCBZUCHDRYAZRH-UHFFFAOYSA-N
MW254.64 g/mol
LogP1.63
Rot. Bonds2

About 3-amino-2-(2-amino-5-chlorophenyl)-1,1,1-trifluoropropan-2-ol

3-amino-2-(2-amino-5-chlorophenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 21018272) has the molecular formula C9H10ClF3N2O and a molecular weight of 254.64 g/mol. Its IUPAC name is 3-amino-2-(2-amino-5-chlorophenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-amino-2-(2-amino-5-chlorophenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID21018272
Molecular FormulaC9H10ClF3N2O
Molecular Weight254.64 g/mol
Exact Mass254.04
IUPAC Name3-amino-2-(2-amino-5-chlorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESNCC(O)(c1cc(Cl)ccc1N)C(F)(F)F
InChIInChI=1S/C9H10ClF3N2O/c10-5-1-2-7(15)6(3-5)8(16,4-14)9(11,12)13/h1-3,16H,4,14-15H2
InChIKeyUCBZUCHDRYAZRH-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 2769707
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Efavirenz aminoalcohol
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2-Amino-5-chlorobenzyl alcohol
CID 586754
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1-(2-Amino-5-chlorophenyl)-1-phenylethanol
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CID 117104067
2-(2-Amino-4-chloro-5-fluorophenyl)propan-2-ol
CID 139377721
2-(2-Amino-5-chlorophenyl)-4-phenyl-1,1,1-trifluoro-3-butyn-2-ol
CID 11120934
2-Amino-5-chloro-alpha-(2-cyclopropylethynyl)-alpha-(trifluoromethyl)benzenemethanol
CID 9838935
2-(4-Amino-3'-chloro-4'-fluoro-[1,1'-biphenyl]-3-yl)propan-2-ol
CID 135799862
2-[2-(Tert-butylamino)-5-chlorophenyl]-1,1,1-trifluorobut-3-yn-2-ol
CID 139231364

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-amino-5-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-amino-2-(2-amino-5-chlorophenyl)-1,1,1-trifluoropropan-2-ol (CID 21018272) is 3-amino-2-(2-amino-5-chlorophenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-amino-2-(2-amino-5-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-amino-2-(2-amino-5-chlorophenyl)-1,1,1-trifluoropropan-2-ol is NCC(O)(c1cc(Cl)ccc1N)C(F)(F)F.
What is the InChIKey of 3-amino-2-(2-amino-5-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is UCBZUCHDRYAZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O/c10-5-1-2-7(15)6(3-5)8(16,4-14)9(11,12)13/h1-3,16H,4,14-15H2.
What are the key properties of 3-amino-2-(2-amino-5-chlorophenyl)-1,1,1-trifluoropropan-2-ol?
3-amino-2-(2-amino-5-chlorophenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 254.64 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-amino-5-chlorophenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 21018272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).