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

C12H16F2N2O — CID 172751333

IUPAC4-(1,1-difluoropentyl)-N'-hydroxybenzenecarboximidamide
SMILESCCCCC(F)(F)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C12H16F2N2O/c1-2-3-8-12(13,14)10-6-4-9(5-7-10)11(15)16-17/h4-7,17H,2-3,8H2,1H3,(H2,15,16)
InChIKeyKKKJJQYRNLHUKA-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.06
Rot. Bonds5

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

4-(1,1-difluoropentyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 172751333) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-(1,1-difluoropentyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(1,1-difluoropentyl)-N'-hydroxybenzenecarboximidamide
PubChem CID172751333
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name4-(1,1-difluoropentyl)-N'-hydroxybenzenecarboximidamide
SMILESCCCCC(F)(F)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C12H16F2N2O/c1-2-3-8-12(13,14)10-6-4-9(5-7-10)11(15)16-17/h4-7,17H,2-3,8H2,1H3,(H2,15,16)
InChIKeyKKKJJQYRNLHUKA-UHFFFAOYSA-N
XLogP3.06
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.06
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-difluorobutyl)-N'-hydroxybenzenecarboximidamide
CID 156800040
N'-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenecarboximidamide
CID 149151725
4-butyl-N'-hydroxybenzenecarboximidamide
CID 7018220
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N'-hydroxy-4-(3,3,3-trifluoropropyl)benzenecarboximidamide
CID 159992522
4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 43267729
N'-propyl-4-(trifluoromethyl)benzenecarboximidamide
CID 154723292
N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 113326452
4-[(E)-N'-hydroxycarbamimidoyl]-N-(5,5,5-trifluoropentyl)benzamide
CID 115521654
N'-hydroxy-4-(4,4,4-trifluorobutoxymethyl)benzenecarboximidamide
CID 82788437
4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide
CID 77047547
N'-hydroxy-4-tritylbenzenecarboximidamide
CID 174553752

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoropentyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(1,1-difluoropentyl)-N'-hydroxybenzenecarboximidamide (CID 172751333) is 4-(1,1-difluoropentyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(1,1-difluoropentyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(1,1-difluoropentyl)-N'-hydroxybenzenecarboximidamide is CCCCC(F)(F)c1ccc(C(N)=NO)cc1.
What is the InChIKey of 4-(1,1-difluoropentyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is KKKJJQYRNLHUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-2-3-8-12(13,14)10-6-4-9(5-7-10)11(15)16-17/h4-7,17H,2-3,8H2,1H3,(H2,15,16).
What are the key properties of 4-(1,1-difluoropentyl)-N'-hydroxybenzenecarboximidamide?
4-(1,1-difluoropentyl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 242.27 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoropentyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 172751333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).