3,5-difluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide

C10H8F6N2O — CID 81293376

IUPAC3,5-difluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(OCC(F)(F)C(F)F)c(F)c1
InChIInChI=1S/C10H8F6N2O/c11-5-1-4(8(17)18)2-6(12)7(5)19-3-10(15,16)9(13)14/h1-2,9H,3H2,(H3,17,18)
InChIKeyUZKLKRPOQGODDX-UHFFFAOYSA-N
MW286.18 g/mol
LogP2.53
Rot. Bonds5

About 3,5-difluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide

3,5-difluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide (PubChem CID 81293376) has the molecular formula C10H8F6N2O and a molecular weight of 286.18 g/mol. Its IUPAC name is 3,5-difluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide
PubChem CID81293376
Molecular FormulaC10H8F6N2O
Molecular Weight286.18 g/mol
Exact Mass286.05
IUPAC Name3,5-difluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(OCC(F)(F)C(F)F)c(F)c1
InChIInChI=1S/C10H8F6N2O/c11-5-1-4(8(17)18)2-6(12)7(5)19-3-10(15,16)9(13)14/h1-2,9H,3H2,(H3,17,18)
InChIKeyUZKLKRPOQGODDX-UHFFFAOYSA-N
XLogP2.53
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 52.53
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': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-4-propoxybenzenecarboximidamide
CID 81293988
3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide
CID 81293857
4-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide
CID 29004868
3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402805
3-fluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarbothioamide
CID 43658096
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3,5-difluorobenzenecarboximidamide
CID 102740176
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide
CID 81293475
4-(diethylamino)-3,5-difluorobenzenecarboximidamide
CID 81293229
4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293743
3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
CID 82253205
4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81293235
3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709002

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide?
The IUPAC name of 3,5-difluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide (CID 81293376) is 3,5-difluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(OCC(F)(F)C(F)F)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide?
The InChIKey is UZKLKRPOQGODDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N2O/c11-5-1-4(8(17)18)2-6(12)7(5)19-3-10(15,16)9(13)14/h1-2,9H,3H2,(H3,17,18).
What are the key properties of 3,5-difluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide?
3,5-difluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide has a molecular weight of 286.18 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide is sourced from PubChem (CID 81293376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).