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

C9H7Cl2F4NO — CID 130276475

IUPAC2-(4-amino-3,5-dichloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1cc(Cl)c(N)c(Cl)c1F)C(F)(F)F
InChIInChI=1S/C9H7Cl2F4NO/c1-8(17,9(13,14)15)3-2-4(10)7(16)5(11)6(3)12/h2,17H,16H2,1H3
InChIKeyAYETVJCPIVJRQH-UHFFFAOYSA-N
MW292.06 g/mol
LogP3.48
Rot. Bonds1

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

2-(4-amino-3,5-dichloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 130276475) has the molecular formula C9H7Cl2F4NO and a molecular weight of 292.06 g/mol. Its IUPAC name is 2-(4-amino-3,5-dichloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-amino-3,5-dichloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID130276475
Molecular FormulaC9H7Cl2F4NO
Molecular Weight292.06 g/mol
Exact Mass290.98
IUPAC Name2-(4-amino-3,5-dichloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1cc(Cl)c(N)c(Cl)c1F)C(F)(F)F
InChIInChI=1S/C9H7Cl2F4NO/c1-8(17,9(13,14)15)3-2-4(10)7(16)5(11)6(3)12/h2,17H,16H2,1H3
InChIKeyAYETVJCPIVJRQH-UHFFFAOYSA-N
XLogP3.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.06
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-(4-amino-3,5-dichloro-2-fluorophenyl)-1,1,1-trifluoropropan-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

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
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
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
1-(4-Amino-3,5-dichlorophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol
CID 86674605
2-[2-Amino-5-[[4-amino-3-chloro-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol
CID 90180691
2-[2-Amino-5-[[4-amino-3-chloro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-3-chlorophenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 90195783
2-(3,5-Dichloro-4-hydrazinylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118064344
2-(4-Amino-3,5-dichlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118070150

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dichloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(4-amino-3,5-dichloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol (CID 130276475) is 2-(4-amino-3,5-dichloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(4-amino-3,5-dichloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(4-amino-3,5-dichloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol is CC(O)(c1cc(Cl)c(N)c(Cl)c1F)C(F)(F)F.
What is the InChIKey of 2-(4-amino-3,5-dichloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is AYETVJCPIVJRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F4NO/c1-8(17,9(13,14)15)3-2-4(10)7(16)5(11)6(3)12/h2,17H,16H2,1H3.
What are the key properties of 2-(4-amino-3,5-dichloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol?
2-(4-amino-3,5-dichloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 292.06 g/mol, XLogP of 3.48, 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-dichloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 130276475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).