3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide

C12H16F2N2O2 — CID 81293857

IUPAC3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(OCCOC(C)C)c(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-7(2)17-3-4-18-11-9(13)5-8(12(15)16)6-10(11)14/h5-7H,3-4H2,1-2H3,(H3,15,16)
InChIKeyPOMRFUYUNYRLLC-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.05
Rot. Bonds6

About 3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide

3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide (PubChem CID 81293857) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide
PubChem CID81293857
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(OCCOC(C)C)c(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-7(2)17-3-4-18-11-9(13)5-8(12(15)16)6-10(11)14/h5-7H,3-4H2,1-2H3,(H3,15,16)
InChIKeyPOMRFUYUNYRLLC-UHFFFAOYSA-N
XLogP2.05
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-4-propoxybenzenecarboximidamide
CID 81293988
3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402805
3,5-difluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide
CID 81293376
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3,5-difluorobenzenecarboximidamide
CID 102740176
5-fluoro-2-(2-propan-2-yloxyethoxy)benzenecarboximidamide
CID 63668159
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide
CID 81293475
3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
CID 82253205
4-[2-(2,6-difluorophenoxy)ethoxy]benzenecarboximidamide
CID 81264863
4-(diethylamino)-3,5-difluorobenzenecarboximidamide
CID 81293229
4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81293235
3,5-difluoro-4-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 81293387
3,5-difluoro-4-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 81294671

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide?
The IUPAC name of 3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide (CID 81293857) is 3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(OCCOC(C)C)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide?
The InChIKey is POMRFUYUNYRLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-7(2)17-3-4-18-11-9(13)5-8(12(15)16)6-10(11)14/h5-7H,3-4H2,1-2H3,(H3,15,16).
What are the key properties of 3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide?
3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide has a molecular weight of 258.27 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide is sourced from PubChem (CID 81293857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).