2-(4-amino-3,5-dichlorophenyl)-1,1,1-trifluoropropan-2-ol

C9H8Cl2F3NO — CID 130274649

IUPAC2-(4-amino-3,5-dichlorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1cc(Cl)c(N)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C9H8Cl2F3NO/c1-8(16,9(12,13)14)4-2-5(10)7(15)6(11)3-4/h2-3,16H,15H2,1H3
InChIKeyQNGSLNUWKKKWNH-UHFFFAOYSA-N
MW274.07 g/mol
LogP3.35
Rot. Bonds1

About 2-(4-amino-3,5-dichlorophenyl)-1,1,1-trifluoropropan-2-ol

2-(4-amino-3,5-dichlorophenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 130274649) has the molecular formula C9H8Cl2F3NO and a molecular weight of 274.07 g/mol. Its IUPAC name is 2-(4-amino-3,5-dichlorophenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-amino-3,5-dichlorophenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID130274649
Molecular FormulaC9H8Cl2F3NO
Molecular Weight274.07 g/mol
Exact Mass272.99
IUPAC Name2-(4-amino-3,5-dichlorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1cc(Cl)c(N)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C9H8Cl2F3NO/c1-8(16,9(12,13)14)4-2-5(10)7(15)6(11)3-4/h2-3,16H,15H2,1H3
InChIKeyQNGSLNUWKKKWNH-UHFFFAOYSA-N
XLogP3.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.07
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzenemethanol, 4-amino-alpha-(aminomethyl)-3,5-dichloro-
CID 217242
1-(4-Amino-3,5-dichlorophenyl)-2-bromoethanol
CID 10446625
1-(4-Amino-3,5-dichlorophenyl)ethanol
CID 23162101
(4-Amino-3,5-dichlorophenyl)-2-t-butyl-aminoethanol hydrochloride
CID 67681059
Benzenemethanol, 4-amino-3-chloro-alpha,alpha-bis(trifluoromethyl)-
CID 14510516
1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-chloroethanol
CID 15067165
2,6-Dimethyl-4-(tetrafluoro-1,3-dichloro-2-hydroxy-2-propyl)aniline
CID 15572232
(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-methanol
CID 22184582
6-Amino-3-chloro-alpha-butyl-alpha-(trifluoromethyl)benzyl alcohol
CID 54071254
2-[4-(3-Aminopropylamino)-3,5-dichlorophenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 54350071
2-(4-Amino-3-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 69109376
1-Amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylpentan-1-ol;hydrochloride
CID 70466534

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dichlorophenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(4-amino-3,5-dichlorophenyl)-1,1,1-trifluoropropan-2-ol (CID 130274649) is 2-(4-amino-3,5-dichlorophenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(4-amino-3,5-dichlorophenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(4-amino-3,5-dichlorophenyl)-1,1,1-trifluoropropan-2-ol is CC(O)(c1cc(Cl)c(N)c(Cl)c1)C(F)(F)F.
What is the InChIKey of 2-(4-amino-3,5-dichlorophenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is QNGSLNUWKKKWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2F3NO/c1-8(16,9(12,13)14)4-2-5(10)7(15)6(11)3-4/h2-3,16H,15H2,1H3.
What are the key properties of 2-(4-amino-3,5-dichlorophenyl)-1,1,1-trifluoropropan-2-ol?
2-(4-amino-3,5-dichlorophenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 274.07 g/mol, XLogP of 3.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dichlorophenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 130274649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).