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

C11H14ClF3N2O — CID 21018267

IUPAC2-(2-amino-5-chlorophenyl)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCNCC(O)(c1cc(Cl)ccc1N)C(F)(F)F
InChIInChI=1S/C11H14ClF3N2O/c1-2-17-6-10(18,11(13,14)15)8-5-7(12)3-4-9(8)16/h3-5,17-18H,2,6,16H2,1H3
InChIKeyOGGQEKPWGJWRNJ-UHFFFAOYSA-N
MW282.69 g/mol
LogP2.28
Rot. Bonds4

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

2-(2-amino-5-chlorophenyl)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 21018267) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenyl)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenyl)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID21018267
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name2-(2-amino-5-chlorophenyl)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCNCC(O)(c1cc(Cl)ccc1N)C(F)(F)F
InChIInChI=1S/C11H14ClF3N2O/c1-2-17-6-10(18,11(13,14)15)8-5-7(12)3-4-9(8)16/h3-5,17-18H,2,6,16H2,1H3
InChIKeyOGGQEKPWGJWRNJ-UHFFFAOYSA-N
XLogP2.28
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 52.28
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)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(2-amino-5-chlorophenyl)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol (CID 21018267) is 2-(2-amino-5-chlorophenyl)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(2-amino-5-chlorophenyl)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(2-amino-5-chlorophenyl)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol is CCNCC(O)(c1cc(Cl)ccc1N)C(F)(F)F.
What is the InChIKey of 2-(2-amino-5-chlorophenyl)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is OGGQEKPWGJWRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O/c1-2-17-6-10(18,11(13,14)15)8-5-7(12)3-4-9(8)16/h3-5,17-18H,2,6,16H2,1H3.
What are the key properties of 2-(2-amino-5-chlorophenyl)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol?
2-(2-amino-5-chlorophenyl)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 282.69 g/mol, XLogP of 2.28, 4 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)-3-(ethylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 21018267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).