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

C8H7ClF3NO — CID 118812382

IUPAC[4-amino-2-chloro-6-(trifluoromethyl)phenyl]methanol
SMILESNc1cc(Cl)c(CO)c(C(F)(F)F)c1
InChIInChI=1S/C8H7ClF3NO/c9-7-2-4(13)1-6(5(7)3-14)8(10,11)12/h1-2,14H,3,13H2
InChIKeyBYUHMWHDUZVYNR-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.43
Rot. Bonds1

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 CID118812382
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name[4-amino-2-chloro-6-(trifluoromethyl)phenyl]methanol
SMILESNc1cc(Cl)c(CO)c(C(F)(F)F)c1
InChIInChI=1S/C8H7ClF3NO/c9-7-2-4(13)1-6(5(7)3-14)8(10,11)12/h1-2,14H,3,13H2
InChIKeyBYUHMWHDUZVYNR-UHFFFAOYSA-N
XLogP2.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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).