3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide

C15H14F2N2O2 — CID 107709002

IUPAC3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Oc2ccc(CCO)cc2)c(F)c1
InChIInChI=1S/C15H14F2N2O2/c16-12-7-10(15(18)19)8-13(17)14(12)21-11-3-1-9(2-4-11)5-6-20/h1-4,7-8,20H,5-6H2,(H3,18,19)
InChIKeyQGTINJQCWMBTDO-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.58
Rot. Bonds5

About 3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide

3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide (PubChem CID 107709002) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
PubChem CID107709002
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Oc2ccc(CCO)cc2)c(F)c1
InChIInChI=1S/C15H14F2N2O2/c16-12-7-10(15(18)19)8-13(17)14(12)21-11-3-1-9(2-4-11)5-6-20/h1-4,7-8,20H,5-6H2,(H3,18,19)
InChIKeyQGTINJQCWMBTDO-UHFFFAOYSA-N
XLogP2.58
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.58
H-Bond Donors ≤ 53
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

4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293743
4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709008
4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 82717295
3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile
CID 107708789
3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide
CID 81293654
2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide
CID 107709009
4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide
CID 142589404
3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide
CID 107709017
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709668
4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide
CID 81293284
4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293557
4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293862

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The IUPAC name of 3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide (CID 107709002) is 3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(Oc2ccc(CCO)cc2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The InChIKey is QGTINJQCWMBTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c16-12-7-10(15(18)19)8-13(17)14(12)21-11-3-1-9(2-4-11)5-6-20/h1-4,7-8,20H,5-6H2,(H3,18,19).
What are the key properties of 3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide has a molecular weight of 292.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide is sourced from PubChem (CID 107709002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).