2,3-difluoro-4-(trifluoromethylamino)phenol

C7H4F5NO — CID 18457376

IUPAC2,3-difluoro-4-(trifluoromethylamino)phenol
SMILESOc1ccc(NC(F)(F)F)c(F)c1F
InChIInChI=1S/C7H4F5NO/c8-5-3(13-7(10,11)12)1-2-4(14)6(5)9/h1-2,13-14H
InChIKeyNGSPYHOFJQQSBC-UHFFFAOYSA-N
MW213.10 g/mol
LogP2.60
Rot. Bonds1

About 2,3-difluoro-4-(trifluoromethylamino)phenol

2,3-difluoro-4-(trifluoromethylamino)phenol (PubChem CID 18457376) has the molecular formula C7H4F5NO and a molecular weight of 213.10 g/mol. Its IUPAC name is 2,3-difluoro-4-(trifluoromethylamino)phenol.

Molecular Properties

Compound Name2,3-difluoro-4-(trifluoromethylamino)phenol
PubChem CID18457376
Molecular FormulaC7H4F5NO
Molecular Weight213.10 g/mol
Exact Mass213.02
IUPAC Name2,3-difluoro-4-(trifluoromethylamino)phenol
SMILESOc1ccc(NC(F)(F)F)c(F)c1F
InChIInChI=1S/C7H4F5NO/c8-5-3(13-7(10,11)12)1-2-4(14)6(5)9/h1-2,13-14H
InChIKeyNGSPYHOFJQQSBC-UHFFFAOYSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.10
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(trifluoromethylamino)phenol?
The IUPAC name of 2,3-difluoro-4-(trifluoromethylamino)phenol (CID 18457376) is 2,3-difluoro-4-(trifluoromethylamino)phenol.
What is the SMILES notation for 2,3-difluoro-4-(trifluoromethylamino)phenol?
The canonical SMILES for 2,3-difluoro-4-(trifluoromethylamino)phenol is Oc1ccc(NC(F)(F)F)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-(trifluoromethylamino)phenol?
The InChIKey is NGSPYHOFJQQSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NO/c8-5-3(13-7(10,11)12)1-2-4(14)6(5)9/h1-2,13-14H.
What are the key properties of 2,3-difluoro-4-(trifluoromethylamino)phenol?
2,3-difluoro-4-(trifluoromethylamino)phenol has a molecular weight of 213.10 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(trifluoromethylamino)phenol is sourced from PubChem (CID 18457376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).