2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide

C16H24F2N4O — CID 170757041

IUPAC2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide
SMILESCCOCc1cccc(C2CCC(F)(F)CC2)c1/C(N)=N/NN
InChIInChI=1S/C16H24F2N4O/c1-2-23-10-12-4-3-5-13(14(12)15(19)21-22-20)11-6-8-16(17,18)9-7-11/h3-5,11,22H,2,6-10,20H2,1H3,(H2,19,21)
InChIKeyPRJYOOOEQSRVGE-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.60
Rot. Bonds6

About 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide

2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide (PubChem CID 170757041) has the molecular formula C16H24F2N4O and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide
PubChem CID170757041
Molecular FormulaC16H24F2N4O
Molecular Weight326.39 g/mol
Exact Mass326.19
IUPAC Name2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide
SMILESCCOCc1cccc(C2CCC(F)(F)CC2)c1/C(N)=N/NN
InChIInChI=1S/C16H24F2N4O/c1-2-23-10-12-4-3-5-13(14(12)15(19)21-22-20)11-6-8-16(17,18)9-7-11/h3-5,11,22H,2,6-10,20H2,1H3,(H2,19,21)
InChIKeyPRJYOOOEQSRVGE-UHFFFAOYSA-N
XLogP2.60
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide (CID 170757041) is 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide is CCOCc1cccc(C2CCC(F)(F)CC2)c1/C(N)=N/NN.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide?
The InChIKey is PRJYOOOEQSRVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4O/c1-2-23-10-12-4-3-5-13(14(12)15(19)21-22-20)11-6-8-16(17,18)9-7-11/h3-5,11,22H,2,6-10,20H2,1H3,(H2,19,21).
What are the key properties of 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide?
2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide has a molecular weight of 326.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide is sourced from PubChem (CID 170757041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).