3-amino-6-fluoro-2-methylphenol

C7H8FNO — CID 118112132

IUPAC3-amino-6-fluoro-2-methylphenol
SMILESCc1c(N)ccc(F)c1O
InChIInChI=1S/C7H8FNO/c1-4-6(9)3-2-5(8)7(4)10/h2-3,10H,9H2,1H3
InChIKeyNSHCQRWDOCLXQW-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.42
Rot. Bonds

About 3-amino-6-fluoro-2-methylphenol

3-amino-6-fluoro-2-methylphenol (PubChem CID 118112132) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 3-amino-6-fluoro-2-methylphenol.

Molecular Properties

Compound Name3-amino-6-fluoro-2-methylphenol
PubChem CID118112132
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name3-amino-6-fluoro-2-methylphenol
SMILESCc1c(N)ccc(F)c1O
InChIInChI=1S/C7H8FNO/c1-4-6(9)3-2-5(8)7(4)10/h2-3,10H,9H2,1H3
InChIKeyNSHCQRWDOCLXQW-UHFFFAOYSA-N
XLogP1.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.42
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 3-amino-6-fluoro-2-methylphenol?
The IUPAC name of 3-amino-6-fluoro-2-methylphenol (CID 118112132) is 3-amino-6-fluoro-2-methylphenol.
What is the SMILES notation for 3-amino-6-fluoro-2-methylphenol?
The canonical SMILES for 3-amino-6-fluoro-2-methylphenol is Cc1c(N)ccc(F)c1O.
What is the InChIKey of 3-amino-6-fluoro-2-methylphenol?
The InChIKey is NSHCQRWDOCLXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c1-4-6(9)3-2-5(8)7(4)10/h2-3,10H,9H2,1H3.
What are the key properties of 3-amino-6-fluoro-2-methylphenol?
3-amino-6-fluoro-2-methylphenol has a molecular weight of 141.14 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-fluoro-2-methylphenol is sourced from PubChem (CID 118112132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).