3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide

C14H12F2N2O — CID 107658516

IUPAC3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cccc(C)c2F)c(F)c1
InChIInChI=1S/C14H12F2N2O/c1-8-3-2-4-12(13(8)16)19-11-6-5-9(14(17)18)7-10(11)15/h2-7H,1H3,(H3,17,18)
InChIKeyBXKGHNOJMNTLBJ-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.35
Rot. Bonds3

About 3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide

3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide (PubChem CID 107658516) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide
PubChem CID107658516
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cccc(C)c2F)c(F)c1
InChIInChI=1S/C14H12F2N2O/c1-8-3-2-4-12(13(8)16)19-11-6-5-9(14(17)18)7-10(11)15/h2-7H,1H3,(H3,17,18)
InChIKeyBXKGHNOJMNTLBJ-UHFFFAOYSA-N
XLogP3.35
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide
CID 43658562
3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride
CID 82240746
3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide
CID 107743283
4-(2-bromophenoxy)-3-methylbenzenecarboximidamide
CID 54933599
2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide
CID 79520393
4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666681
(1R)-1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]ethanol
CID 107659139
3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
CID 82253205
3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 107666580
4-(3-chloro-2-fluorophenoxy)-3-fluorobenzenecarbothioamide
CID 116689080
1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine
CID 107661710
4-(3-chloro-2-fluorophenoxy)benzenecarboximidamide
CID 116689225

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide (CID 107658516) is 3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cccc(C)c2F)c(F)c1.
What is the InChIKey of 3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide?
The InChIKey is BXKGHNOJMNTLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-8-3-2-4-12(13(8)16)19-11-6-5-9(14(17)18)7-10(11)15/h2-7H,1H3,(H3,17,18).
What are the key properties of 3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide?
3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide has a molecular weight of 262.26 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-fluoro-3-methylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 107658516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).