N-amino-2,4-difluoro-N'-propan-2-ylbenzenecarboximidamide

C10H13F2N3 — CID 61363069

IUPACN-amino-2,4-difluoro-N'-propan-2-ylbenzenecarboximidamide
SMILESCC(C)/N=C(\NN)c1ccc(F)cc1F
InChIInChI=1S/C10H13F2N3/c1-6(2)14-10(15-13)8-4-3-7(11)5-9(8)12/h3-6H,13H2,1-2H3,(H,14,15)
InChIKeyDXOLNEKFHBPHLH-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.58
Rot. Bonds2

About N-amino-2,4-difluoro-N'-propan-2-ylbenzenecarboximidamide

N-amino-2,4-difluoro-N'-propan-2-ylbenzenecarboximidamide (PubChem CID 61363069) has the molecular formula C10H13F2N3 and a molecular weight of 213.23 g/mol. Its IUPAC name is N-amino-2,4-difluoro-N'-propan-2-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-2,4-difluoro-N'-propan-2-ylbenzenecarboximidamide
PubChem CID61363069
Molecular FormulaC10H13F2N3
Molecular Weight213.23 g/mol
Exact Mass213.11
IUPAC NameN-amino-2,4-difluoro-N'-propan-2-ylbenzenecarboximidamide
SMILESCC(C)/N=C(\NN)c1ccc(F)cc1F
InChIInChI=1S/C10H13F2N3/c1-6(2)14-10(15-13)8-4-3-7(11)5-9(8)12/h3-6H,13H2,1-2H3,(H,14,15)
InChIKeyDXOLNEKFHBPHLH-UHFFFAOYSA-N
XLogP1.58
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-2,4-difluoro-N'-methylbenzenecarboximidamide
CID 61360850
N-amino-N'-cycloheptyl-2,4-difluorobenzenecarboximidamide
CID 61361337
3-(2,4-difluorophenyl)but-3-en-2-ol
CID 23289047
N-amino-2-bromo-N'-propan-2-ylbenzenecarboximidamide
CID 61363467
(2S)-2-bromo-1-(2,4-difluorophenyl)propan-1-one
CID 9106630
N-amino-3,5-dibromo-N'-propan-2-ylbenzenecarboximidamide
CID 107974585
N-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide
CID 64540190
N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
CID 63731532
1-(2,4-difluorophenyl)-4-methylpentane-1,3-dione
CID 63319815
2,4-difluorobenzenecarbothioamide
CID 2781868
2,4-difluoro-1-prop-1-en-2-ylbenzene
CID 10877333
N-amino-4-bromo-2-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62544317

Frequently Asked Questions

What is the IUPAC name of N-amino-2,4-difluoro-N'-propan-2-ylbenzenecarboximidamide?
The IUPAC name of N-amino-2,4-difluoro-N'-propan-2-ylbenzenecarboximidamide (CID 61363069) is N-amino-2,4-difluoro-N'-propan-2-ylbenzenecarboximidamide.
What is the SMILES notation for N-amino-2,4-difluoro-N'-propan-2-ylbenzenecarboximidamide?
The canonical SMILES for N-amino-2,4-difluoro-N'-propan-2-ylbenzenecarboximidamide is CC(C)/N=C(\NN)c1ccc(F)cc1F.
What is the InChIKey of N-amino-2,4-difluoro-N'-propan-2-ylbenzenecarboximidamide?
The InChIKey is DXOLNEKFHBPHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3/c1-6(2)14-10(15-13)8-4-3-7(11)5-9(8)12/h3-6H,13H2,1-2H3,(H,14,15).
What are the key properties of N-amino-2,4-difluoro-N'-propan-2-ylbenzenecarboximidamide?
N-amino-2,4-difluoro-N'-propan-2-ylbenzenecarboximidamide has a molecular weight of 213.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2,4-difluoro-N'-propan-2-ylbenzenecarboximidamide is sourced from PubChem (CID 61363069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).