4-(dimethylamino)-3,5-difluorobenzenecarboximidamide

C9H11F2N3 — CID 71695282

IUPAC4-(dimethylamino)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N(C)C)c(F)c1
InChIInChI=1S/C9H11F2N3/c1-14(2)8-6(10)3-5(9(12)13)4-7(8)11/h3-4H,1-2H3,(H3,12,13)
InChIKeyFXMDKRZZJNKKNA-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.31
Rot. Bonds2

About 4-(dimethylamino)-3,5-difluorobenzenecarboximidamide

4-(dimethylamino)-3,5-difluorobenzenecarboximidamide (PubChem CID 71695282) has the molecular formula C9H11F2N3 and a molecular weight of 199.20 g/mol. Its IUPAC name is 4-(dimethylamino)-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(dimethylamino)-3,5-difluorobenzenecarboximidamide
PubChem CID71695282
Molecular FormulaC9H11F2N3
Molecular Weight199.20 g/mol
Exact Mass199.09
IUPAC Name4-(dimethylamino)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N(C)C)c(F)c1
InChIInChI=1S/C9H11F2N3/c1-14(2)8-6(10)3-5(9(12)13)4-7(8)11/h3-4H,1-2H3,(H3,12,13)
InChIKeyFXMDKRZZJNKKNA-UHFFFAOYSA-N
XLogP1.31
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.31
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

CID 6058241
CID 6058241
CID 9665343
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CID 90680791
CID 90680791
CID 122182388
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CID 21758414
CID 21758414
CID 361538
CID 361538
CID 43263484
CID 43263484
CID 5713751
CID 5713751
CID 46889169
CID 46889169
CID 155519051
CID 155519051
CID 22693592
CID 22693592
CID 43188163
CID 43188163

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-(dimethylamino)-3,5-difluorobenzenecarboximidamide (CID 71695282) is 4-(dimethylamino)-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-(dimethylamino)-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-(dimethylamino)-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(N(C)C)c(F)c1.
What is the InChIKey of 4-(dimethylamino)-3,5-difluorobenzenecarboximidamide?
The InChIKey is FXMDKRZZJNKKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3/c1-14(2)8-6(10)3-5(9(12)13)4-7(8)11/h3-4H,1-2H3,(H3,12,13).
What are the key properties of 4-(dimethylamino)-3,5-difluorobenzenecarboximidamide?
4-(dimethylamino)-3,5-difluorobenzenecarboximidamide has a molecular weight of 199.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 71695282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).