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

C9H5Cl2F6NO — CID 118070150

IUPAC2-(4-amino-3,5-dichlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1c(Cl)cc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl
InChIInChI=1S/C9H5Cl2F6NO/c10-4-1-3(2-5(11)6(4)18)7(19,8(12,13)14)9(15,16)17/h1-2,19H,18H2
InChIKeyUEGSGDVIEFWAJV-UHFFFAOYSA-N
MW328.04 g/mol
LogP3.89
Rot. Bonds1

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

2-(4-amino-3,5-dichlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 118070150) has the molecular formula C9H5Cl2F6NO and a molecular weight of 328.04 g/mol. Its IUPAC name is 2-(4-amino-3,5-dichlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-amino-3,5-dichlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID118070150
Molecular FormulaC9H5Cl2F6NO
Molecular Weight328.04 g/mol
Exact Mass326.97
IUPAC Name2-(4-amino-3,5-dichlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1c(Cl)cc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl
InChIInChI=1S/C9H5Cl2F6NO/c10-4-1-3(2-5(11)6(4)18)7(19,8(12,13)14)9(15,16)17/h1-2,19H,18H2
InChIKeyUEGSGDVIEFWAJV-UHFFFAOYSA-N
XLogP3.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.04
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-amino-3,5-dichlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
3-[2,6-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]propanenitrile
CID 54146829
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)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(4-amino-3,5-dichlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 118070150) is 2-(4-amino-3,5-dichlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(4-amino-3,5-dichlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(4-amino-3,5-dichlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is Nc1c(Cl)cc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl.
What is the InChIKey of 2-(4-amino-3,5-dichlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is UEGSGDVIEFWAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2F6NO/c10-4-1-3(2-5(11)6(4)18)7(19,8(12,13)14)9(15,16)17/h1-2,19H,18H2.
What are the key properties of 2-(4-amino-3,5-dichlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(4-amino-3,5-dichlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 328.04 g/mol, XLogP of 3.89, 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)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 118070150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).