3-amino-5-fluoro-4-methylphenol

C7H8FNO — CID 131277286

IUPAC3-amino-5-fluoro-4-methylphenol
SMILESCc1c(N)cc(O)cc1F
InChIInChI=1S/C7H8FNO/c1-4-6(8)2-5(10)3-7(4)9/h2-3,10H,9H2,1H3
InChIKeyNLKVEXLQXHKRDJ-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.42
Rot. Bonds

About 3-amino-5-fluoro-4-methylphenol

3-amino-5-fluoro-4-methylphenol (PubChem CID 131277286) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methylphenol.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methylphenol
PubChem CID131277286
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name3-amino-5-fluoro-4-methylphenol
SMILESCc1c(N)cc(O)cc1F
InChIInChI=1S/C7H8FNO/c1-4-6(8)2-5(10)3-7(4)9/h2-3,10H,9H2,1H3
InChIKeyNLKVEXLQXHKRDJ-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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Related Compounds

3-fluoro-2,5-dimethylaniline
CID 55289526
5-chloro-3-fluoro-2-methylaniline
CID 18727792
3,4,5-trifluorophenol
CID 2777943
3-fluoro-5-methoxy-4-methylphenol
CID 84650327
propyl 3-amino-5-fluoro-4-methylbenzoate
CID 61308274
4-(2,6-difluoro-4-hydroxyphenyl)-3,5-difluorophenol
CID 22708583
3-methylbutyl 3-amino-5-fluoro-4-methylbenzoate
CID 61310243
5-amino-4-fluoro-2-methylphenol
CID 10154098
3-amino-5-fluoro-N,N,4-trimethylbenzenesulfonamide
CID 116791384
2-methoxyethyl 3-amino-5-fluoro-4-methylbenzoate
CID 61309264
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
3-ethyl-4,5-difluorophenol
CID 147335111

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methylphenol?
The IUPAC name of 3-amino-5-fluoro-4-methylphenol (CID 131277286) is 3-amino-5-fluoro-4-methylphenol.
What is the SMILES notation for 3-amino-5-fluoro-4-methylphenol?
The canonical SMILES for 3-amino-5-fluoro-4-methylphenol is Cc1c(N)cc(O)cc1F.
What is the InChIKey of 3-amino-5-fluoro-4-methylphenol?
The InChIKey is NLKVEXLQXHKRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c1-4-6(8)2-5(10)3-7(4)9/h2-3,10H,9H2,1H3.
What are the key properties of 3-amino-5-fluoro-4-methylphenol?
3-amino-5-fluoro-4-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-5-fluoro-4-methylphenol is sourced from PubChem (CID 131277286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).