(1R)-1-(4-amino-2-chlorophenyl)-2,2-dichloroethanol

C8H8Cl3NO — CID 2317253

IUPAC(1R)-1-(4-amino-2-chlorophenyl)-2,2-dichloroethanol
SMILESNc1ccc([C@@H](O)C(Cl)Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl3NO/c9-6-3-4(12)1-2-5(6)7(13)8(10)11/h1-3,7-8,13H,12H2/t7-/m1/s1
InChIKeyYJJQMDVRCASGGQ-SSDOTTSWSA-N
MW240.52 g/mol
LogP2.76
Rot. Bonds2

About (1R)-1-(4-amino-2-chlorophenyl)-2,2-dichloroethanol

(1R)-1-(4-amino-2-chlorophenyl)-2,2-dichloroethanol (PubChem CID 2317253) has the molecular formula C8H8Cl3NO and a molecular weight of 240.52 g/mol. Its IUPAC name is (1R)-1-(4-amino-2-chlorophenyl)-2,2-dichloroethanol.

Molecular Properties

Compound Name(1R)-1-(4-amino-2-chlorophenyl)-2,2-dichloroethanol
PubChem CID2317253
Molecular FormulaC8H8Cl3NO
Molecular Weight240.52 g/mol
Exact Mass238.97
IUPAC Name(1R)-1-(4-amino-2-chlorophenyl)-2,2-dichloroethanol
SMILESNc1ccc([C@@H](O)C(Cl)Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl3NO/c9-6-3-4(12)1-2-5(6)7(13)8(10)11/h1-3,7-8,13H,12H2/t7-/m1/s1
InChIKeyYJJQMDVRCASGGQ-SSDOTTSWSA-N
XLogP2.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.52
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-(4-amino-2-chlorophenyl)butane-1,2-diol
CID 171880949
4-[(4-amino-2-chlorophenyl)-chloromethyl]-3,5-dichloroaniline
CID 101277520
(R)-(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanol
CID 27260955
(4-amino-2-chlorophenyl)-(3,5-difluorophenyl)methanol
CID 112736201
1-(5-amino-2-chlorophenyl)-3-chloropropane-1,2-diol
CID 171861726
1-(4-amino-2-chlorophenyl)octan-1-ol
CID 112736197
3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol
CID 170829088
2,2-dichloro-1-(2,5-dichlorophenyl)ethanol
CID 70495317
4-[amino(cyclopropyl)methyl]-3-chloroaniline
CID 55268901
3,4-dichloroaniline
CID 7257
3-chloro-1-(2-chloro-4-fluorophenyl)propane-1,2-diol
CID 171861599
4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol
CID 171880819

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-amino-2-chlorophenyl)-2,2-dichloroethanol?
The IUPAC name of (1R)-1-(4-amino-2-chlorophenyl)-2,2-dichloroethanol (CID 2317253) is (1R)-1-(4-amino-2-chlorophenyl)-2,2-dichloroethanol.
What is the SMILES notation for (1R)-1-(4-amino-2-chlorophenyl)-2,2-dichloroethanol?
The canonical SMILES for (1R)-1-(4-amino-2-chlorophenyl)-2,2-dichloroethanol is Nc1ccc([C@@H](O)C(Cl)Cl)c(Cl)c1.
What is the InChIKey of (1R)-1-(4-amino-2-chlorophenyl)-2,2-dichloroethanol?
The InChIKey is YJJQMDVRCASGGQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8Cl3NO/c9-6-3-4(12)1-2-5(6)7(13)8(10)11/h1-3,7-8,13H,12H2/t7-/m1/s1.
What are the key properties of (1R)-1-(4-amino-2-chlorophenyl)-2,2-dichloroethanol?
(1R)-1-(4-amino-2-chlorophenyl)-2,2-dichloroethanol has a molecular weight of 240.52 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-amino-2-chlorophenyl)-2,2-dichloroethanol is sourced from PubChem (CID 2317253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).