4-(aminomethyl)-2,6-difluorobenzenecarboximidamide

C8H9F2N3 — CID 170745941

IUPAC4-(aminomethyl)-2,6-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cc(CN)cc1F
InChIInChI=1S/C8H9F2N3/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,3,11H2,(H3,12,13)
InChIKeyDWYDEYNPBGTIMI-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.71
Rot. Bonds2

About 4-(aminomethyl)-2,6-difluorobenzenecarboximidamide

4-(aminomethyl)-2,6-difluorobenzenecarboximidamide (PubChem CID 170745941) has the molecular formula C8H9F2N3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 4-(aminomethyl)-2,6-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(aminomethyl)-2,6-difluorobenzenecarboximidamide
PubChem CID170745941
Molecular FormulaC8H9F2N3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name4-(aminomethyl)-2,6-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cc(CN)cc1F
InChIInChI=1S/C8H9F2N3/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,3,11H2,(H3,12,13)
InChIKeyDWYDEYNPBGTIMI-UHFFFAOYSA-N
XLogP0.71
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.71
H-Bond Donors ≤ 53
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

(3,4,5-trifluorophenyl)methanamine;hydrochloride
CID 86064922
2,4,5-trifluorobenzenecarboximidamide;hydrochloride
CID 53407269
2-amino-3-chloro-6-fluorobenzenecarboximidamide
CID 57139132
(3,5-difluoro-4-methylsulfanylphenyl)methanamine
CID 63814041
2-(benzylamino)-6-fluorobenzenecarboximidamide
CID 82253404
2-fluoro-6-[methyl(2-methylpropyl)amino]benzenecarboximidamide
CID 79519709
2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide
CID 43609327
4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride
CID 70294234
2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide
CID 43609384
4-(diethylamino)-3,5-difluorobenzenecarboximidamide
CID 81293229
benzenecarboximidamide;(4-phenylphenyl)methanamine
CID 145327292
4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666642

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,6-difluorobenzenecarboximidamide?
The IUPAC name of 4-(aminomethyl)-2,6-difluorobenzenecarboximidamide (CID 170745941) is 4-(aminomethyl)-2,6-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-(aminomethyl)-2,6-difluorobenzenecarboximidamide?
The canonical SMILES for 4-(aminomethyl)-2,6-difluorobenzenecarboximidamide is [H]/N=C(\N)c1c(F)cc(CN)cc1F.
What is the InChIKey of 4-(aminomethyl)-2,6-difluorobenzenecarboximidamide?
The InChIKey is DWYDEYNPBGTIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,3,11H2,(H3,12,13).
What are the key properties of 4-(aminomethyl)-2,6-difluorobenzenecarboximidamide?
4-(aminomethyl)-2,6-difluorobenzenecarboximidamide has a molecular weight of 185.18 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,6-difluorobenzenecarboximidamide is sourced from PubChem (CID 170745941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).