2-(4-amino-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C9H6ClF6NO — CID 14510516

IUPAC2-(4-amino-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl
InChIInChI=1S/C9H6ClF6NO/c10-5-3-4(1-2-6(5)17)7(18,8(11,12)13)9(14,15)16/h1-3,18H,17H2
InChIKeyZOKCVBASGFZTEI-UHFFFAOYSA-N
MW293.59 g/mol
LogP3.23
Rot. Bonds1

About 2-(4-amino-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(4-amino-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 14510516) has the molecular formula C9H6ClF6NO and a molecular weight of 293.59 g/mol. Its IUPAC name is 2-(4-amino-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-amino-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID14510516
Molecular FormulaC9H6ClF6NO
Molecular Weight293.59 g/mol
Exact Mass293.00
IUPAC Name2-(4-amino-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl
InChIInChI=1S/C9H6ClF6NO/c10-5-3-4(1-2-6(5)17)7(18,8(11,12)13)9(14,15)16/h1-3,18H,17H2
InChIKeyZOKCVBASGFZTEI-UHFFFAOYSA-N
XLogP3.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.59
LogP ≤ 53.23
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

2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 577801
Efavirenz aminoalcohol
CID 11033574
(R)-5-Chloro-alpha-(cyclopropylethynyl)-2-amino-alpha-(trifluoromethyl) benzenemethanol
CID 10891562
2-(2-Amino-5-chlorophenyl)propan-2-ol
CID 117104067
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-(4-Amino-2-fluoro-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
CID 11265869
(+/-) 2-(2-Amino-5-chlorophenyl)-1,1,1-trifluoro-5-hexen-2-ol
CID 15817164
2-(2-Amino-5-chlorophenyl)-1,1,1-trifluoro-3-butyn-2-ol
CID 18972706
Benzenemethanol, 4-amino-alpha-methyl-alpha-(trifluoromethyl)-
CID 20704035
3-Amino-2-(2-amino-5-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 21018272
(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-methanol
CID 22184582

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(4-amino-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 14510516) is 2-(4-amino-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(4-amino-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(4-amino-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl.
What is the InChIKey of 2-(4-amino-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is ZOKCVBASGFZTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF6NO/c10-5-3-4(1-2-6(5)17)7(18,8(11,12)13)9(14,15)16/h1-3,18H,17H2.
What are the key properties of 2-(4-amino-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(4-amino-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 293.59 g/mol, XLogP of 3.23, 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-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 14510516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).