6-amino-2,3-difluoro-4-methylphenol

C7H7F2NO — CID 59444170

IUPAC6-amino-2,3-difluoro-4-methylphenol
SMILESCc1cc(N)c(O)c(F)c1F
InChIInChI=1S/C7H7F2NO/c1-3-2-4(10)7(11)6(9)5(3)8/h2,11H,10H2,1H3
InChIKeyUVTYWFGSRBYNSP-UHFFFAOYSA-N
MW159.13 g/mol
LogP1.56
Rot. Bonds

About 6-amino-2,3-difluoro-4-methylphenol

6-amino-2,3-difluoro-4-methylphenol (PubChem CID 59444170) has the molecular formula C7H7F2NO and a molecular weight of 159.13 g/mol. Its IUPAC name is 6-amino-2,3-difluoro-4-methylphenol.

Molecular Properties

Compound Name6-amino-2,3-difluoro-4-methylphenol
PubChem CID59444170
Molecular FormulaC7H7F2NO
Molecular Weight159.13 g/mol
Exact Mass159.05
IUPAC Name6-amino-2,3-difluoro-4-methylphenol
SMILESCc1cc(N)c(O)c(F)c1F
InChIInChI=1S/C7H7F2NO/c1-3-2-4(10)7(11)6(9)5(3)8/h2,11H,10H2,1H3
InChIKeyUVTYWFGSRBYNSP-UHFFFAOYSA-N
XLogP1.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-5-methylphenol
CID 76082
2-Amino-4-phenylphenol
CID 14562
2-Amino-4-methylphenol
CID 7264
2,4-Diamino-6-methylphenol
CID 27520
2-Amino-4,5-dimethylphenol
CID 81099
2-Nitro-4-(trifluoromethyl)phenol
CID 9816
2-Amino-4-tert-butylphenol
CID 70982
6-Amino-o-cresol
CID 413657
2-Amino-4,6-di-tert-butylphenol
CID 324555
6-Amino-2,4-xylenol
CID 100530
2-Amino-4-(trifluoromethyl)phenol
CID 120246
2-Amino-4-isopropylphenol
CID 662440

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-difluoro-4-methylphenol?
The IUPAC name of 6-amino-2,3-difluoro-4-methylphenol (CID 59444170) is 6-amino-2,3-difluoro-4-methylphenol.
What is the SMILES notation for 6-amino-2,3-difluoro-4-methylphenol?
The canonical SMILES for 6-amino-2,3-difluoro-4-methylphenol is Cc1cc(N)c(O)c(F)c1F.
What is the InChIKey of 6-amino-2,3-difluoro-4-methylphenol?
The InChIKey is UVTYWFGSRBYNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO/c1-3-2-4(10)7(11)6(9)5(3)8/h2,11H,10H2,1H3.
What are the key properties of 6-amino-2,3-difluoro-4-methylphenol?
6-amino-2,3-difluoro-4-methylphenol has a molecular weight of 159.13 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,3-difluoro-4-methylphenol is sourced from PubChem (CID 59444170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).