3,5-difluoro-4-(oxolan-3-yloxy)benzenecarboximidamide

C11H12F2N2O2 — CID 81293659

IUPAC3,5-difluoro-4-(oxolan-3-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(OC2CCOC2)c(F)c1
InChIInChI=1S/C11H12F2N2O2/c12-8-3-6(11(14)15)4-9(13)10(8)17-7-1-2-16-5-7/h3-4,7H,1-2,5H2,(H3,14,15)
InChIKeyDJXFAQOVRKCDKD-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.42
Rot. Bonds3

About 3,5-difluoro-4-(oxolan-3-yloxy)benzenecarboximidamide

3,5-difluoro-4-(oxolan-3-yloxy)benzenecarboximidamide (PubChem CID 81293659) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is 3,5-difluoro-4-(oxolan-3-yloxy)benzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-4-(oxolan-3-yloxy)benzenecarboximidamide
PubChem CID81293659
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Name3,5-difluoro-4-(oxolan-3-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(OC2CCOC2)c(F)c1
InChIInChI=1S/C11H12F2N2O2/c12-8-3-6(11(14)15)4-9(13)10(8)17-7-1-2-16-5-7/h3-4,7H,1-2,5H2,(H3,14,15)
InChIKeyDJXFAQOVRKCDKD-UHFFFAOYSA-N
XLogP1.42
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane
CID 121407954
3-bromo-4-(oxolan-3-yloxy)benzenecarboximidamide
CID 82798806
4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide
CID 63558047
(5S)-5-hydroxy-4-(oxolan-3-yloxy)-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboximidamide
CID 67371890
3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide
CID 114483792
3-fluoro-5-(methylaminomethyl)-4-[(3S)-oxolan-3-yl]oxyaniline
CID 131733886
3-fluoro-5-(methylaminomethyl)-4-[(3R)-oxolan-3-yl]oxyaniline
CID 131733883
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3,5-difluorobenzenecarboximidamide
CID 102740176
1,3-dimethyl-5-(oxolan-3-yloxy)pyrazole-4-carboximidamide
CID 63752289
1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone
CID 63559449
3,5-difluoro-4-propoxybenzenecarboximidamide
CID 81293988
3,5-difluoro-2-(oxan-3-yloxy)aniline
CID 166931502

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(oxolan-3-yloxy)benzenecarboximidamide?
The IUPAC name of 3,5-difluoro-4-(oxolan-3-yloxy)benzenecarboximidamide (CID 81293659) is 3,5-difluoro-4-(oxolan-3-yloxy)benzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-4-(oxolan-3-yloxy)benzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-4-(oxolan-3-yloxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(OC2CCOC2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(oxolan-3-yloxy)benzenecarboximidamide?
The InChIKey is DJXFAQOVRKCDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c12-8-3-6(11(14)15)4-9(13)10(8)17-7-1-2-16-5-7/h3-4,7H,1-2,5H2,(H3,14,15).
What are the key properties of 3,5-difluoro-4-(oxolan-3-yloxy)benzenecarboximidamide?
3,5-difluoro-4-(oxolan-3-yloxy)benzenecarboximidamide has a molecular weight of 242.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(oxolan-3-yloxy)benzenecarboximidamide is sourced from PubChem (CID 81293659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).