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

C7H12F4N2O — CID 114995945

IUPAC3-(2,2,3,3-tetrafluoropropoxy)butanimidamide
SMILES[H]/N=C(\N)CC(C)OCC(F)(F)C(F)F
InChIInChI=1S/C7H12F4N2O/c1-4(2-5(12)13)14-3-7(10,11)6(8)9/h4,6H,2-3H2,1H3,(H3,12,13)
InChIKeyLYXZTSOPWIGCIF-UHFFFAOYSA-N
MW216.18 g/mol
LogP1.62
Rot. Bonds6

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

3-(2,2,3,3-tetrafluoropropoxy)butanimidamide (PubChem CID 114995945) has the molecular formula C7H12F4N2O and a molecular weight of 216.18 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropoxy)butanimidamide.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropoxy)butanimidamide
PubChem CID114995945
Molecular FormulaC7H12F4N2O
Molecular Weight216.18 g/mol
Exact Mass216.09
IUPAC Name3-(2,2,3,3-tetrafluoropropoxy)butanimidamide
SMILES[H]/N=C(\N)CC(C)OCC(F)(F)C(F)F
InChIInChI=1S/C7H12F4N2O/c1-4(2-5(12)13)14-3-7(10,11)6(8)9/h4,6H,2-3H2,1H3,(H3,12,13)
InChIKeyLYXZTSOPWIGCIF-UHFFFAOYSA-N
XLogP1.62
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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': '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 3-(2,2,3,3-tetrafluoropropoxy)butanimidamide?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)butanimidamide (CID 114995945) is 3-(2,2,3,3-tetrafluoropropoxy)butanimidamide.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropoxy)butanimidamide?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropoxy)butanimidamide is [H]/N=C(\N)CC(C)OCC(F)(F)C(F)F.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropoxy)butanimidamide?
The InChIKey is LYXZTSOPWIGCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4N2O/c1-4(2-5(12)13)14-3-7(10,11)6(8)9/h4,6H,2-3H2,1H3,(H3,12,13).
What are the key properties of 3-(2,2,3,3-tetrafluoropropoxy)butanimidamide?
3-(2,2,3,3-tetrafluoropropoxy)butanimidamide has a molecular weight of 216.18 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoropropoxy)butanimidamide is sourced from PubChem (CID 114995945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).