[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]methanol;zinc

C14H12F3NOZn — CID 158536023

IUPAC[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]methanol;zinc
SMILESNc1ccc(-c2ccc(C(F)(F)F)cc2)cc1CO.[Zn]
InChIInChI=1S/C14H12F3NO.Zn/c15-14(16,17)12-4-1-9(2-5-12)10-3-6-13(18)11(7-10)8-19;/h1-7,19H,8,18H2;
InChIKeyHNYJWZVJPZPBNF-UHFFFAOYSA-N
MW332.64 g/mol
LogP3.44
Rot. Bonds2

About [2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]methanol;zinc

[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]methanol;zinc (PubChem CID 158536023) has the molecular formula C14H12F3NOZn and a molecular weight of 332.64 g/mol. Its IUPAC name is [2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]methanol;zinc.

Molecular Properties

Compound Name[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]methanol;zinc
PubChem CID158536023
Molecular FormulaC14H12F3NOZn
Molecular Weight332.64 g/mol
Exact Mass331.02
IUPAC Name[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]methanol;zinc
SMILESNc1ccc(-c2ccc(C(F)(F)F)cc2)cc1CO.[Zn]
InChIInChI=1S/C14H12F3NO.Zn/c15-14(16,17)12-4-1-9(2-5-12)10-3-6-13(18)11(7-10)8-19;/h1-7,19H,8,18H2;
InChIKeyHNYJWZVJPZPBNF-UHFFFAOYSA-N
XLogP3.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.64
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 81288373
[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 22280004
2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 23005194
2-chloro-4-[4-(trifluoromethyl)phenyl]aniline
CID 23626608
methyl (2S)-2-[[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]methylamino]propanoate
CID 69234632
2-[5-amino-2-(hydroxymethyl)phenyl]ethanol;1-phenyl-4-(trifluoromethyl)benzene
CID 171924767
[2-amino-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 134618432
[2-amino-4,5-bis(trifluoromethyl)phenyl]methanol
CID 119022514
[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 133089792
[2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 172649997
ethyl 2-amino-4-[4-(trifluoromethyl)phenyl]benzoate
CID 134624138
[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol
CID 89357054

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]methanol;zinc?
The IUPAC name of [2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]methanol;zinc (CID 158536023) is [2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]methanol;zinc.
What is the SMILES notation for [2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]methanol;zinc?
The canonical SMILES for [2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]methanol;zinc is Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1CO.[Zn].
What is the InChIKey of [2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]methanol;zinc?
The InChIKey is HNYJWZVJPZPBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO.Zn/c15-14(16,17)12-4-1-9(2-5-12)10-3-6-13(18)11(7-10)8-19;/h1-7,19H,8,18H2;.
What are the key properties of [2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]methanol;zinc?
[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]methanol;zinc has a molecular weight of 332.64 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]methanol;zinc is sourced from PubChem (CID 158536023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).