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

C14H12F2N2O — CID 82918831

IUPAC3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H12F2N2O/c15-12-5-4-9(6-13(12)16)8-19-11-3-1-2-10(7-11)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeySFRPJELTNQZRPK-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.83
Rot. Bonds4

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

3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide (PubChem CID 82918831) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide
PubChem CID82918831
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H12F2N2O/c15-12-5-4-9(6-13(12)16)8-19-11-3-1-2-10(7-11)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeySFRPJELTNQZRPK-UHFFFAOYSA-N
XLogP2.83
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.83
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

3-[(5-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 103046763
4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666642
3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 114849637
3-[[3-[(3-carbamimidoylphenoxy)methyl]-5-methylphenyl]methoxy]benzenecarboximidamide;dihydrochloride
CID 156508315
3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide
CID 62336532
3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide
CID 82253908
3-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331398
3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide
CID 107709017
4-[(3-chloro-4-fluorophenyl)methoxy]benzenecarboximidamide
CID 103038182
3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide
CID 64853652
3-[[3-(4-carbamimidoylphenyl)-5-hydroxyphenyl]methoxy]benzenecarboximidamide
CID 173254483
4-[(3-bromophenoxy)methyl]benzenecarboximidamide
CID 24705552

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide (CID 82918831) is 3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1cccc(OCc2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide?
The InChIKey is SFRPJELTNQZRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c15-12-5-4-9(6-13(12)16)8-19-11-3-1-2-10(7-11)14(17)18/h1-7H,8H2,(H3,17,18).
What are the key properties of 3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide?
3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide has a molecular weight of 262.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 82918831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).