(1R)-1-(4-amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol

C8H6Cl2F3NO — CID 130276472

IUPAC(1R)-1-(4-amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol
SMILESNc1c(Cl)cc([C@@H](O)C(F)(F)F)cc1Cl
InChIInChI=1S/C8H6Cl2F3NO/c9-4-1-3(2-5(10)6(4)14)7(15)8(11,12)13/h1-2,7,15H,14H2/t7-/m1/s1
InChIKeyCYULSNGJZMQPRQ-SSDOTTSWSA-N
MW260.04 g/mol
LogP3.17
Rot. Bonds1

About (1R)-1-(4-amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol

(1R)-1-(4-amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol (PubChem CID 130276472) has the molecular formula C8H6Cl2F3NO and a molecular weight of 260.04 g/mol. Its IUPAC name is (1R)-1-(4-amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1R)-1-(4-amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol
PubChem CID130276472
Molecular FormulaC8H6Cl2F3NO
Molecular Weight260.04 g/mol
Exact Mass258.98
IUPAC Name(1R)-1-(4-amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol
SMILESNc1c(Cl)cc([C@@H](O)C(F)(F)F)cc1Cl
InChIInChI=1S/C8H6Cl2F3NO/c9-4-1-3(2-5(10)6(4)14)7(15)8(11,12)13/h1-2,7,15H,14H2/t7-/m1/s1
InChIKeyCYULSNGJZMQPRQ-SSDOTTSWSA-N
XLogP3.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.04
LogP ≤ 53.17
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-3,5-dichloro-alpha-((dimethylamino)methyl)-
CID 217233
1-(4-Amino-3,5-dichlorophenyl)-2-(diethylamino)ethan-1-ol
CID 217235
Benzenemethanol, 4-amino-alpha-(aminomethyl)-3,5-dichloro-
CID 217242
1-(4-Amino-3,5-dichlorophenyl)-2-(methylamino)ethan-1-ol
CID 217243
1-(4-Amino-3,5-dichlorophenyl)-2-(ethylamino)ethan-1-ol
CID 217244
1-(4-Amino-3,5-dichlorophenyl)-2-(butylamino)ethan-1-ol
CID 217249
Benzenemethanol, 4-amino-3,5-dichloro-alpha-((ethylmethylamino)methyl)-
CID 217234
1-(4-Amino-3,5-dichlorophenyl)-2-(dipropylamino)ethan-1-ol
CID 217236
1-(4-Amino-3,5-dichlorophenyl)-2-(propylamino)ethan-1-ol
CID 217245
1-(4-Amino-3,5-dichlorophenyl)-2-(hexylamino)ethan-1-ol
CID 53639498
1-(4-Amino-3,5-dichlorophenyl)-2-bromoethanol
CID 10446625
1-(4-Amino-3,5-dichlorophenyl)ethanol
CID 23162101

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol?
The IUPAC name of (1R)-1-(4-amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol (CID 130276472) is (1R)-1-(4-amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for (1R)-1-(4-amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol?
The canonical SMILES for (1R)-1-(4-amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol is Nc1c(Cl)cc([C@@H](O)C(F)(F)F)cc1Cl.
What is the InChIKey of (1R)-1-(4-amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol?
The InChIKey is CYULSNGJZMQPRQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H6Cl2F3NO/c9-4-1-3(2-5(10)6(4)14)7(15)8(11,12)13/h1-2,7,15H,14H2/t7-/m1/s1.
What are the key properties of (1R)-1-(4-amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol?
(1R)-1-(4-amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol has a molecular weight of 260.04 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-amino-3,5-dichlorophenyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 130276472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).