4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide

C14H11F3N2O — CID 107666642

IUPAC4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2ccc(F)c(F)c2)c(F)c1
InChIInChI=1S/C14H11F3N2O/c15-10-3-1-8(5-11(10)16)7-20-13-4-2-9(14(18)19)6-12(13)17/h1-6H,7H2,(H3,18,19)
InChIKeyPJPINARKSYAABL-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.97
Rot. Bonds4

About 4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide

4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide (PubChem CID 107666642) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
PubChem CID107666642
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2ccc(F)c(F)c2)c(F)c1
InChIInChI=1S/C14H11F3N2O/c15-10-3-1-8(5-11(10)16)7-20-13-4-2-9(14(18)19)6-12(13)17/h1-6H,7H2,(H3,18,19)
InChIKeyPJPINARKSYAABL-UHFFFAOYSA-N
XLogP2.97
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.97
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-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666681
3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 107666580
3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 82918831
3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253926
3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide
CID 24704765
3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 82253424
3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107881722
4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 82253825
3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
CID 82253205
4-[(4-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240843
3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107666555
3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide
CID 107666516

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide (CID 107666642) is 4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(OCc2ccc(F)c(F)c2)c(F)c1.
What is the InChIKey of 4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide?
The InChIKey is PJPINARKSYAABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-10-3-1-8(5-11(10)16)7-20-13-4-2-9(14(18)19)6-12(13)17/h1-6H,7H2,(H3,18,19).
What are the key properties of 4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide?
4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide has a molecular weight of 280.25 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 107666642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).