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

C8H7ClF3NO2 — CID 131260902

IUPAC[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]methanol
SMILESNc1cc(OC(F)(F)F)cc(CO)c1Cl
InChIInChI=1S/C8H7ClF3NO2/c9-7-4(3-14)1-5(2-6(7)13)15-8(10,11)12/h1-2,14H,3,13H2
InChIKeyHAJJERGMYOWNKV-UHFFFAOYSA-N
MW241.60 g/mol
LogP2.31
Rot. Bonds2

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

[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]methanol (PubChem CID 131260902) has the molecular formula C8H7ClF3NO2 and a molecular weight of 241.60 g/mol. Its IUPAC name is [3-amino-2-chloro-5-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]methanol
PubChem CID131260902
Molecular FormulaC8H7ClF3NO2
Molecular Weight241.60 g/mol
Exact Mass241.01
IUPAC Name[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]methanol
SMILESNc1cc(OC(F)(F)F)cc(CO)c1Cl
InChIInChI=1S/C8H7ClF3NO2/c9-7-4(3-14)1-5(2-6(7)13)15-8(10,11)12/h1-2,14H,3,13H2
InChIKeyHAJJERGMYOWNKV-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

[3-amino-2-methoxy-5-(trifluoromethoxy)phenyl]methanol
CID 126674741
[5-amino-2-chloro-3-(trifluoromethoxy)phenyl]methanol
CID 131260889
3-chloro-5-(trifluoromethoxy)benzene-1,2-diamine
CID 118807866
2-[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134655883
2-(aminomethyl)-6-chloro-4-(trifluoromethoxy)aniline
CID 119001858
2-(hydroxymethyl)-4-(trifluoromethoxy)phenol
CID 11694149
[3-(trifluoromethoxy)naphthalen-1-yl]methanol
CID 118803751
2-amino-6-chloro-4-(trifluoromethoxy)benzamide
CID 119001912
[3-amino-5-fluoro-2-(trifluoromethoxy)phenyl]methanol
CID 131261840
[2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol
CID 118996091
[2-chloro-5-(trifluoromethoxy)phenyl]methanamine
CID 118990752
[4-amino-2-(trifluoromethoxy)phenyl]methanol
CID 118822833

Frequently Asked Questions

What is the IUPAC name of [3-amino-2-chloro-5-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of [3-amino-2-chloro-5-(trifluoromethoxy)phenyl]methanol (CID 131260902) is [3-amino-2-chloro-5-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for [3-amino-2-chloro-5-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for [3-amino-2-chloro-5-(trifluoromethoxy)phenyl]methanol is Nc1cc(OC(F)(F)F)cc(CO)c1Cl.
What is the InChIKey of [3-amino-2-chloro-5-(trifluoromethoxy)phenyl]methanol?
The InChIKey is HAJJERGMYOWNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO2/c9-7-4(3-14)1-5(2-6(7)13)15-8(10,11)12/h1-2,14H,3,13H2.
What are the key properties of [3-amino-2-chloro-5-(trifluoromethoxy)phenyl]methanol?
[3-amino-2-chloro-5-(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 [3-amino-2-chloro-5-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 131260902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).