[5-amino-2-chloro-3-(trifluoromethoxy)phenyl]methanol

C8H7ClF3NO2 — CID 131260889

IUPAC[5-amino-2-chloro-3-(trifluoromethoxy)phenyl]methanol
SMILESNc1cc(CO)c(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C8H7ClF3NO2/c9-7-4(3-14)1-5(13)2-6(7)15-8(10,11)12/h1-2,14H,3,13H2
InChIKeyLHVIIUHGXNTXRS-UHFFFAOYSA-N
MW241.60 g/mol
LogP2.31
Rot. Bonds2

About [5-amino-2-chloro-3-(trifluoromethoxy)phenyl]methanol

[5-amino-2-chloro-3-(trifluoromethoxy)phenyl]methanol (PubChem CID 131260889) has the molecular formula C8H7ClF3NO2 and a molecular weight of 241.60 g/mol. Its IUPAC name is [5-amino-2-chloro-3-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-amino-2-chloro-3-(trifluoromethoxy)phenyl]methanol
PubChem CID131260889
Molecular FormulaC8H7ClF3NO2
Molecular Weight241.60 g/mol
Exact Mass241.01
IUPAC Name[5-amino-2-chloro-3-(trifluoromethoxy)phenyl]methanol
SMILESNc1cc(CO)c(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C8H7ClF3NO2/c9-7-4(3-14)1-5(13)2-6(7)15-8(10,11)12/h1-2,14H,3,13H2
InChIKeyLHVIIUHGXNTXRS-UHFFFAOYSA-N
XLogP2.31
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.60
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-3-(trifluoromethoxy)phenol
CID 118850628
[4-amino-2-(trifluoromethoxy)phenyl]methanol
CID 118822833
3-(chloromethyl)-4-fluoro-5-(trifluoromethoxy)aniline
CID 131611979
4-chloro-3-(trifluoromethoxy)-5-(trifluoromethyl)aniline
CID 171035858
4-chloro-3-iodo-5-(trifluoromethoxy)aniline
CID 118811208
[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]methanol
CID 131260902
[5-amino-3-chloro-2-(trifluoromethyl)phenyl]methanol
CID 131094748
4-bromo-3-(bromomethyl)-5-(trifluoromethoxy)aniline
CID 131495803
[2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol
CID 118996091
2-chloro-5-(chloromethyl)-3-(trifluoromethoxy)aniline
CID 131324856
[5-methyl-2-(trifluoromethoxy)phenyl]methanol
CID 67765469
[3-(trifluoromethoxy)naphthalen-2-yl]methanol
CID 118854447

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-chloro-3-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of [5-amino-2-chloro-3-(trifluoromethoxy)phenyl]methanol (CID 131260889) is [5-amino-2-chloro-3-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for [5-amino-2-chloro-3-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for [5-amino-2-chloro-3-(trifluoromethoxy)phenyl]methanol is Nc1cc(CO)c(Cl)c(OC(F)(F)F)c1.
What is the InChIKey of [5-amino-2-chloro-3-(trifluoromethoxy)phenyl]methanol?
The InChIKey is LHVIIUHGXNTXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO2/c9-7-4(3-14)1-5(13)2-6(7)15-8(10,11)12/h1-2,14H,3,13H2.
What are the key properties of [5-amino-2-chloro-3-(trifluoromethoxy)phenyl]methanol?
[5-amino-2-chloro-3-(trifluoromethoxy)phenyl]methanol has a molecular weight of 241.60 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-chloro-3-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 131260889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).