4-(2,2,3,3-tetrafluoropropoxy)butanimidamide

C7H12F4N2O — CID 29004860

IUPAC4-(2,2,3,3-tetrafluoropropoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOCC(F)(F)C(F)F
InChIInChI=1S/C7H12F4N2O/c8-6(9)7(10,11)4-14-3-1-2-5(12)13/h6H,1-4H2,(H3,12,13)
InChIKeyIWDULGVLULIYQP-UHFFFAOYSA-N
MW216.18 g/mol
LogP1.62
Rot. Bonds7

About 4-(2,2,3,3-tetrafluoropropoxy)butanimidamide

4-(2,2,3,3-tetrafluoropropoxy)butanimidamide (PubChem CID 29004860) has the molecular formula C7H12F4N2O and a molecular weight of 216.18 g/mol. Its IUPAC name is 4-(2,2,3,3-tetrafluoropropoxy)butanimidamide.

Molecular Properties

Compound Name4-(2,2,3,3-tetrafluoropropoxy)butanimidamide
PubChem CID29004860
Molecular FormulaC7H12F4N2O
Molecular Weight216.18 g/mol
Exact Mass216.09
IUPAC Name4-(2,2,3,3-tetrafluoropropoxy)butanimidamide
SMILES[H]/N=C(\N)CCCOCC(F)(F)C(F)F
InChIInChI=1S/C7H12F4N2O/c8-6(9)7(10,11)4-14-3-1-2-5(12)13/h6H,1-4H2,(H3,12,13)
InChIKeyIWDULGVLULIYQP-UHFFFAOYSA-N
XLogP1.62
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3-tetrafluoropropoxy)butanimidamide?
The IUPAC name of 4-(2,2,3,3-tetrafluoropropoxy)butanimidamide (CID 29004860) is 4-(2,2,3,3-tetrafluoropropoxy)butanimidamide.
What is the SMILES notation for 4-(2,2,3,3-tetrafluoropropoxy)butanimidamide?
The canonical SMILES for 4-(2,2,3,3-tetrafluoropropoxy)butanimidamide is [H]/N=C(\N)CCCOCC(F)(F)C(F)F.
What is the InChIKey of 4-(2,2,3,3-tetrafluoropropoxy)butanimidamide?
The InChIKey is IWDULGVLULIYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4N2O/c8-6(9)7(10,11)4-14-3-1-2-5(12)13/h6H,1-4H2,(H3,12,13).
What are the key properties of 4-(2,2,3,3-tetrafluoropropoxy)butanimidamide?
4-(2,2,3,3-tetrafluoropropoxy)butanimidamide has a molecular weight of 216.18 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetrafluoropropoxy)butanimidamide is sourced from PubChem (CID 29004860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).