4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol

C11H13ClF3NO2 — CID 65190623

IUPAC4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol
SMILESCOc1ccc(Cl)cc1C(CN)C(O)C(F)(F)F
InChIInChI=1S/C11H13ClF3NO2/c1-18-9-3-2-6(12)4-7(9)8(5-16)10(17)11(13,14)15/h2-4,8,10,17H,5,16H2,1H3
InChIKeyMVYFBJYEYAVIFE-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.31
Rot. Bonds4

About 4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol

4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol (PubChem CID 65190623) has the molecular formula C11H13ClF3NO2 and a molecular weight of 283.68 g/mol. Its IUPAC name is 4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol
PubChem CID65190623
Molecular FormulaC11H13ClF3NO2
Molecular Weight283.68 g/mol
Exact Mass283.06
IUPAC Name4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol
SMILESCOc1ccc(Cl)cc1C(CN)C(O)C(F)(F)F
InChIInChI=1S/C11H13ClF3NO2/c1-18-9-3-2-6(12)4-7(9)8(5-16)10(17)11(13,14)15/h2-4,8,10,17H,5,16H2,1H3
InChIKeyMVYFBJYEYAVIFE-UHFFFAOYSA-N
XLogP2.31
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol?
The IUPAC name of 4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol (CID 65190623) is 4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for 4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for 4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol is COc1ccc(Cl)cc1C(CN)C(O)C(F)(F)F.
What is the InChIKey of 4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol?
The InChIKey is MVYFBJYEYAVIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO2/c1-18-9-3-2-6(12)4-7(9)8(5-16)10(17)11(13,14)15/h2-4,8,10,17H,5,16H2,1H3.
What are the key properties of 4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol?
4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol has a molecular weight of 283.68 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 65190623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).