4-(1,1-difluorobutyl)-N'-hydroxybenzenecarboximidamide

C11H14F2N2O — CID 156800040

IUPAC4-(1,1-difluorobutyl)-N'-hydroxybenzenecarboximidamide
SMILESCCCC(F)(F)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C11H14F2N2O/c1-2-7-11(12,13)9-5-3-8(4-6-9)10(14)15-16/h3-6,16H,2,7H2,1H3,(H2,14,15)
InChIKeySPURGXZVPKYWDP-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.67
Rot. Bonds4

About 4-(1,1-difluorobutyl)-N'-hydroxybenzenecarboximidamide

4-(1,1-difluorobutyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 156800040) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 4-(1,1-difluorobutyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(1,1-difluorobutyl)-N'-hydroxybenzenecarboximidamide
PubChem CID156800040
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name4-(1,1-difluorobutyl)-N'-hydroxybenzenecarboximidamide
SMILESCCCC(F)(F)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C11H14F2N2O/c1-2-7-11(12,13)9-5-3-8(4-6-9)10(14)15-16/h3-6,16H,2,7H2,1H3,(H2,14,15)
InChIKeySPURGXZVPKYWDP-UHFFFAOYSA-N
XLogP2.67
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.67
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(1,1-difluoropentyl)-N'-hydroxybenzenecarboximidamide
CID 172751333
N'-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenecarboximidamide
CID 149151725
N'-hydroxy-4-(3,3,3-trifluoropropyl)benzenecarboximidamide
CID 159992522
4-[4-(1,1-difluorobutyl)phenyl]aniline
CID 116992150
N'-propyl-4-(trifluoromethyl)benzenecarboximidamide
CID 154723292
4-butyl-N'-hydroxybenzenecarboximidamide
CID 7018220
N'-hydroxy-4-tritylbenzenecarboximidamide
CID 174553752
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
N'-hydroxybenzenecarboximidamide
CID 142861747
4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methylpentan-3-yl)benzamide
CID 106330933
N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 113326452

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluorobutyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(1,1-difluorobutyl)-N'-hydroxybenzenecarboximidamide (CID 156800040) is 4-(1,1-difluorobutyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(1,1-difluorobutyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(1,1-difluorobutyl)-N'-hydroxybenzenecarboximidamide is CCCC(F)(F)c1ccc(/C(N)=N/O)cc1.
What is the InChIKey of 4-(1,1-difluorobutyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is SPURGXZVPKYWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-2-7-11(12,13)9-5-3-8(4-6-9)10(14)15-16/h3-6,16H,2,7H2,1H3,(H2,14,15).
What are the key properties of 4-(1,1-difluorobutyl)-N'-hydroxybenzenecarboximidamide?
4-(1,1-difluorobutyl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 228.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluorobutyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 156800040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).