N'-(cyclopropylmethoxy)-6-(difluoromethoxy)-2,3-difluorobenzenecarboximidamide

C12H12F4N2O2 — CID 45073728

IUPACN'-(cyclopropylmethoxy)-6-(difluoromethoxy)-2,3-difluorobenzenecarboximidamide
SMILESN/C(=N/OCC1CC1)c1c(OC(F)F)ccc(F)c1F
InChIInChI=1S/C12H12F4N2O2/c13-7-3-4-8(20-12(15)16)9(10(7)14)11(17)18-19-5-6-1-2-6/h3-4,6,12H,1-2,5H2,(H2,17,18)
InChIKeyZCBXUBSMAVMJJA-UHFFFAOYSA-N
MW292.23 g/mol
LogP2.61
Rot. Bonds6

About N'-(cyclopropylmethoxy)-6-(difluoromethoxy)-2,3-difluorobenzenecarboximidamide

N'-(cyclopropylmethoxy)-6-(difluoromethoxy)-2,3-difluorobenzenecarboximidamide (PubChem CID 45073728) has the molecular formula C12H12F4N2O2 and a molecular weight of 292.23 g/mol. Its IUPAC name is N'-(cyclopropylmethoxy)-6-(difluoromethoxy)-2,3-difluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-(cyclopropylmethoxy)-6-(difluoromethoxy)-2,3-difluorobenzenecarboximidamide
PubChem CID45073728
Molecular FormulaC12H12F4N2O2
Molecular Weight292.23 g/mol
Exact Mass292.08
IUPAC NameN'-(cyclopropylmethoxy)-6-(difluoromethoxy)-2,3-difluorobenzenecarboximidamide
SMILESN/C(=N/OCC1CC1)c1c(OC(F)F)ccc(F)c1F
InChIInChI=1S/C12H12F4N2O2/c13-7-3-4-8(20-12(15)16)9(10(7)14)11(17)18-19-5-6-1-2-6/h3-4,6,12H,1-2,5H2,(H2,17,18)
InChIKeyZCBXUBSMAVMJJA-UHFFFAOYSA-N
XLogP2.61
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethoxy)-6-(difluoromethoxy)-2,3-difluorobenzenecarboximidamide?
The IUPAC name of N'-(cyclopropylmethoxy)-6-(difluoromethoxy)-2,3-difluorobenzenecarboximidamide (CID 45073728) is N'-(cyclopropylmethoxy)-6-(difluoromethoxy)-2,3-difluorobenzenecarboximidamide.
What is the SMILES notation for N'-(cyclopropylmethoxy)-6-(difluoromethoxy)-2,3-difluorobenzenecarboximidamide?
The canonical SMILES for N'-(cyclopropylmethoxy)-6-(difluoromethoxy)-2,3-difluorobenzenecarboximidamide is N/C(=N/OCC1CC1)c1c(OC(F)F)ccc(F)c1F.
What is the InChIKey of N'-(cyclopropylmethoxy)-6-(difluoromethoxy)-2,3-difluorobenzenecarboximidamide?
The InChIKey is ZCBXUBSMAVMJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2O2/c13-7-3-4-8(20-12(15)16)9(10(7)14)11(17)18-19-5-6-1-2-6/h3-4,6,12H,1-2,5H2,(H2,17,18).
What are the key properties of N'-(cyclopropylmethoxy)-6-(difluoromethoxy)-2,3-difluorobenzenecarboximidamide?
N'-(cyclopropylmethoxy)-6-(difluoromethoxy)-2,3-difluorobenzenecarboximidamide has a molecular weight of 292.23 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethoxy)-6-(difluoromethoxy)-2,3-difluorobenzenecarboximidamide is sourced from PubChem (CID 45073728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).