3,5-bis(fluoromethyl)-N'-hydroxybenzenecarboximidamide

C9H10F2N2O — CID 91375435

IUPAC3,5-bis(fluoromethyl)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(CF)cc(CF)c1
InChIInChI=1S/C9H10F2N2O/c10-4-6-1-7(5-11)3-8(2-6)9(12)13-14/h1-3,14H,4-5H2,(H2,12,13)
InChIKeyQFZUQSVNEUJDIS-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.72
Rot. Bonds3

About 3,5-bis(fluoromethyl)-N'-hydroxybenzenecarboximidamide

3,5-bis(fluoromethyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 91375435) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 3,5-bis(fluoromethyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3,5-bis(fluoromethyl)-N'-hydroxybenzenecarboximidamide
PubChem CID91375435
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name3,5-bis(fluoromethyl)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(CF)cc(CF)c1
InChIInChI=1S/C9H10F2N2O/c10-4-6-1-7(5-11)3-8(2-6)9(12)13-14/h1-3,14H,4-5H2,(H2,12,13)
InChIKeyQFZUQSVNEUJDIS-UHFFFAOYSA-N
XLogP1.72
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.72
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-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 80695553
4-amino-3,5-dichloro-N'-hydroxybenzenecarboximidamide
CID 2735315
3,5-dibromo-N',4-dihydroxybenzenecarboximidamide
CID 135922656
2,6-difluoro-4-[(Z)-N'-hydroxycarbamimidoyl]benzoic acid
CID 129386894
2-[3-(N'-hydroxycarbamimidoyl)phenyl]acetic acid
CID 90990640
3-fluoro-N'-hydroxy-5-[(2-prop-2-enylsulfanylethylamino)methyl]benzenecarboximidamide
CID 106429105
3-fluoro-N'-hydroxy-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzenecarboximidamide
CID 106350262
3-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-2-hydroxypropanamide
CID 106177135
3-fluoro-N'-hydroxy-5-[[2-(2-hydroxyethyl)pentylamino]methyl]benzenecarboximidamide
CID 106115552
3-fluoro-N'-hydroxy-5-[(3-methoxy-3-methylbutoxy)methyl]benzenecarboximidamide
CID 106665828
2-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylsulfanyl]-N-methylacetamide
CID 114231754
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 50941129

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(fluoromethyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3,5-bis(fluoromethyl)-N'-hydroxybenzenecarboximidamide (CID 91375435) is 3,5-bis(fluoromethyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3,5-bis(fluoromethyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3,5-bis(fluoromethyl)-N'-hydroxybenzenecarboximidamide is NC(=NO)c1cc(CF)cc(CF)c1.
What is the InChIKey of 3,5-bis(fluoromethyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is QFZUQSVNEUJDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c10-4-6-1-7(5-11)3-8(2-6)9(12)13-14/h1-3,14H,4-5H2,(H2,12,13).
What are the key properties of 3,5-bis(fluoromethyl)-N'-hydroxybenzenecarboximidamide?
3,5-bis(fluoromethyl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 200.19 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(fluoromethyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 91375435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).