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

C14H9Cl3F3NO — CID 86674605

IUPAC1-(4-amino-3,5-dichlorophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol
SMILESNc1c(Cl)cc(C(O)(c2ccc(Cl)cc2)C(F)(F)F)cc1Cl
InChIInChI=1S/C14H9Cl3F3NO/c15-9-3-1-7(2-4-9)13(22,14(18,19)20)8-5-10(16)12(21)11(17)6-8/h1-6,22H,21H2
InChIKeyFBLZRAADSQMDHR-UHFFFAOYSA-N
MW370.59 g/mol
LogP5.03
Rot. Bonds2

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

1-(4-amino-3,5-dichlorophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol (PubChem CID 86674605) has the molecular formula C14H9Cl3F3NO and a molecular weight of 370.59 g/mol. Its IUPAC name is 1-(4-amino-3,5-dichlorophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(4-amino-3,5-dichlorophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol
PubChem CID86674605
Molecular FormulaC14H9Cl3F3NO
Molecular Weight370.59 g/mol
Exact Mass368.97
IUPAC Name1-(4-amino-3,5-dichlorophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol
SMILESNc1c(Cl)cc(C(O)(c2ccc(Cl)cc2)C(F)(F)F)cc1Cl
InChIInChI=1S/C14H9Cl3F3NO/c15-9-3-1-7(2-4-9)13(22,14(18,19)20)8-5-10(16)12(21)11(17)6-8/h1-6,22H,21H2
InChIKeyFBLZRAADSQMDHR-UHFFFAOYSA-N
XLogP5.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.59
LogP ≤ 55.03
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

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
(E)-2-(4-amino-3-methylphenyl)-4-(4-chlorophenyl)-1,1,1-trifluorobut-3-en-2-ol
CID 23131626
1-(4-Amino-3-methylphenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol
CID 23131631
2-(4-Amino-3-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 69109376
1-(4-Amino-3-methylphenyl)-3-(4-chlorophenyl)-1-trifluoromethyl-2-propen-1-ol
CID 69334175
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-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]aniline
CID 90901270
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]aniline
CID 91103440
2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]aniline
CID 91202499

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol (CID 86674605) is 1-(4-amino-3,5-dichlorophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(4-amino-3,5-dichlorophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(4-amino-3,5-dichlorophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol is Nc1c(Cl)cc(C(O)(c2ccc(Cl)cc2)C(F)(F)F)cc1Cl.
What is the InChIKey of 1-(4-amino-3,5-dichlorophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol?
The InChIKey is FBLZRAADSQMDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3F3NO/c15-9-3-1-7(2-4-9)13(22,14(18,19)20)8-5-10(16)12(21)11(17)6-8/h1-6,22H,21H2.
What are the key properties of 1-(4-amino-3,5-dichlorophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol?
1-(4-amino-3,5-dichlorophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol has a molecular weight of 370.59 g/mol, XLogP of 5.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dichlorophenyl)-1-(4-chlorophenyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 86674605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).