3-amino-2-(3,4-dichlorophenyl)-1,1,1-trifluoropentan-2-ol

C11H12Cl2F3NO — CID 63083776

IUPAC3-amino-2-(3,4-dichlorophenyl)-1,1,1-trifluoropentan-2-ol
SMILESCCC(N)C(O)(c1ccc(Cl)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C11H12Cl2F3NO/c1-2-9(17)10(18,11(14,15)16)6-3-4-7(12)8(13)5-6/h3-5,9,18H,2,17H2,1H3
InChIKeyYAHITHHQISIZBG-UHFFFAOYSA-N
MW302.12 g/mol
LogP3.48
Rot. Bonds3

About 3-amino-2-(3,4-dichlorophenyl)-1,1,1-trifluoropentan-2-ol

3-amino-2-(3,4-dichlorophenyl)-1,1,1-trifluoropentan-2-ol (PubChem CID 63083776) has the molecular formula C11H12Cl2F3NO and a molecular weight of 302.12 g/mol. Its IUPAC name is 3-amino-2-(3,4-dichlorophenyl)-1,1,1-trifluoropentan-2-ol.

Molecular Properties

Compound Name3-amino-2-(3,4-dichlorophenyl)-1,1,1-trifluoropentan-2-ol
PubChem CID63083776
Molecular FormulaC11H12Cl2F3NO
Molecular Weight302.12 g/mol
Exact Mass301.02
IUPAC Name3-amino-2-(3,4-dichlorophenyl)-1,1,1-trifluoropentan-2-ol
SMILESCCC(N)C(O)(c1ccc(Cl)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C11H12Cl2F3NO/c1-2-9(17)10(18,11(14,15)16)6-3-4-7(12)8(13)5-6/h3-5,9,18H,2,17H2,1H3
InChIKeyYAHITHHQISIZBG-UHFFFAOYSA-N
XLogP3.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(3-chloro-4-methylphenyl)-1,1,1-trifluoropentan-2-ol
CID 107560915
3-amino-1,1,1-trifluoro-2-(4-fluoro-3-methylphenyl)pentan-2-ol
CID 55181933
3-amino-1,1,1-trifluoro-2-pyridin-4-ylpentan-2-ol
CID 63680404
3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropentan-2-ol
CID 63974655
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CID 130574670
3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
CID 132588737
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655
2-(3,4-dichlorophenyl)-N,N-diethyl-2,2-difluoroacetamide
CID 46914855
1,2-dichloro-4-(2-fluoropropan-2-yl)benzene
CID 84674781
1,3-diamino-2-(3,4-dichlorophenyl)propan-2-ol
CID 57144234
1,1,4,4-tetrakis(3,4-dichlorophenyl)butane-1,4-diol
CID 154188534
3-amino-1,1,1-trifluoro-2-(4-methylsulfanylphenyl)nonan-2-ol
CID 118588919

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,4-dichlorophenyl)-1,1,1-trifluoropentan-2-ol?
The IUPAC name of 3-amino-2-(3,4-dichlorophenyl)-1,1,1-trifluoropentan-2-ol (CID 63083776) is 3-amino-2-(3,4-dichlorophenyl)-1,1,1-trifluoropentan-2-ol.
What is the SMILES notation for 3-amino-2-(3,4-dichlorophenyl)-1,1,1-trifluoropentan-2-ol?
The canonical SMILES for 3-amino-2-(3,4-dichlorophenyl)-1,1,1-trifluoropentan-2-ol is CCC(N)C(O)(c1ccc(Cl)c(Cl)c1)C(F)(F)F.
What is the InChIKey of 3-amino-2-(3,4-dichlorophenyl)-1,1,1-trifluoropentan-2-ol?
The InChIKey is YAHITHHQISIZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2F3NO/c1-2-9(17)10(18,11(14,15)16)6-3-4-7(12)8(13)5-6/h3-5,9,18H,2,17H2,1H3.
What are the key properties of 3-amino-2-(3,4-dichlorophenyl)-1,1,1-trifluoropentan-2-ol?
3-amino-2-(3,4-dichlorophenyl)-1,1,1-trifluoropentan-2-ol has a molecular weight of 302.12 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,4-dichlorophenyl)-1,1,1-trifluoropentan-2-ol is sourced from PubChem (CID 63083776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).