3,5-difluoro-4-hexoxy-N'-hydroxybenzenecarboximidamide

C13H18F2N2O2 — CID 81285934

IUPAC3,5-difluoro-4-hexoxy-N'-hydroxybenzenecarboximidamide
SMILESCCCCCCOc1c(F)cc(C(N)=NO)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-2-3-4-5-6-19-12-10(14)7-9(8-11(12)15)13(16)17-18/h7-8,18H,2-6H2,1H3,(H2,16,17)
InChIKeyWQKGZLJTFZKFNQ-UHFFFAOYSA-N
MW272.29 g/mol
LogP3.02
Rot. Bonds7

About 3,5-difluoro-4-hexoxy-N'-hydroxybenzenecarboximidamide

3,5-difluoro-4-hexoxy-N'-hydroxybenzenecarboximidamide (PubChem CID 81285934) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 3,5-difluoro-4-hexoxy-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-4-hexoxy-N'-hydroxybenzenecarboximidamide
PubChem CID81285934
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name3,5-difluoro-4-hexoxy-N'-hydroxybenzenecarboximidamide
SMILESCCCCCCOc1c(F)cc(C(N)=NO)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-2-3-4-5-6-19-12-10(14)7-9(8-11(12)15)13(16)17-18/h7-8,18H,2-6H2,1H3,(H2,16,17)
InChIKeyWQKGZLJTFZKFNQ-UHFFFAOYSA-N
XLogP3.02
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-difluoro-4-pentoxyphenyl)ethanone
CID 91657642
3,5-difluoro-4-hexoxybenzoic acid
CID 63183875
3,5-difluoro-N'-hydroxy-4-(2-methylpentoxy)benzenecarboximidamide
CID 103283904
1,2,3,4,5,6-hexakis(4-decoxy-3,5-difluorophenyl)benzene
CID 101373438
3,5-difluoro-4-hexoxybenzenethiol
CID 91657934
3-decoxy-N'-hydroxybenzenecarboximidamide
CID 76997791
4-(cyclopropylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81285641
4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 54933357
5-(bromomethyl)-1,3-difluoro-2-hexoxybenzene
CID 79887890
5-(bromomethyl)-2-decoxy-1,3-difluorobenzene
CID 79881356
N-[(3,5-difluoro-4-heptoxyphenyl)methyl]ethanamine
CID 79892240
4-(cyclopentylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81283453

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-hexoxy-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3,5-difluoro-4-hexoxy-N'-hydroxybenzenecarboximidamide (CID 81285934) is 3,5-difluoro-4-hexoxy-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-4-hexoxy-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-4-hexoxy-N'-hydroxybenzenecarboximidamide is CCCCCCOc1c(F)cc(C(N)=NO)cc1F.
What is the InChIKey of 3,5-difluoro-4-hexoxy-N'-hydroxybenzenecarboximidamide?
The InChIKey is WQKGZLJTFZKFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-2-3-4-5-6-19-12-10(14)7-9(8-11(12)15)13(16)17-18/h7-8,18H,2-6H2,1H3,(H2,16,17).
What are the key properties of 3,5-difluoro-4-hexoxy-N'-hydroxybenzenecarboximidamide?
3,5-difluoro-4-hexoxy-N'-hydroxybenzenecarboximidamide has a molecular weight of 272.29 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-hexoxy-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 81285934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).