[4-amino-2-chloro-6-(trifluoromethyl)phenyl]methanol

C₈H₇ClF₃NO — CID 118812382

About [4-amino-2-chloro-6-(trifluoromethyl)phenyl]methanol

[4-amino-2-chloro-6-(trifluoromethyl)phenyl]methanol (PubChem CID 118812382) has the molecular formula C₈H₇ClF₃NO and a molecular weight of 225.60 g/mol. Its IUPAC name is [4-amino-2-chloro-6-(trifluoromethyl)phenyl]methanol.

Molecular Properties

• Compound Name: [4-amino-2-chloro-6-(trifluoromethyl)phenyl]methanol
• PubChem CID: 118812382
• Molecular Formula: C₈H₇ClF₃NO
• Molecular Weight: 225.60 g/mol
• Exact Mass: 225.02
• IUPAC Name: [4-amino-2-chloro-6-(trifluoromethyl)phenyl]methanol
• SMILES: Nc1cc(Cl)c(CO)c(C(F)(F)F)c1
• InChI: InChI=1S/C8H7ClF3NO/c9-7-2-4(13)1-6(5(7)3-14)8(10,11)12/h1-2,14H,3,13H2
• InChIKey: BYUHMWHDUZVYNR-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 46.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	225.60
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-chloro-6-(trifluoromethyl)phenyl]methanol?

The IUPAC name of [4-amino-2-chloro-6-(trifluoromethyl)phenyl]methanol (CID 118812382) is [4-amino-2-chloro-6-(trifluoromethyl)phenyl]methanol.

What is the SMILES notation for [4-amino-2-chloro-6-(trifluoromethyl)phenyl]methanol?

The canonical SMILES for [4-amino-2-chloro-6-(trifluoromethyl)phenyl]methanol is Nc1cc(Cl)c(CO)c(C(F)(F)F)c1.

What is the InChIKey of [4-amino-2-chloro-6-(trifluoromethyl)phenyl]methanol?

The InChIKey is BYUHMWHDUZVYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c9-7-2-4(13)1-6(5(7)3-14)8(10,11)12/h1-2,14H,3,13H2.

What are the key properties of [4-amino-2-chloro-6-(trifluoromethyl)phenyl]methanol?

[4-amino-2-chloro-6-(trifluoromethyl)phenyl]methanol has a molecular weight of 225.60 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [4-amino-2-chloro-6-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 118812382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118812382 — identifiers, structure, computed properties (public domain)

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