2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide

C7H12F4N2O — CID 43368914

IUPAC2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)COCC(F)(F)C(F)F
InChIInChI=1S/C7H12F4N2O/c1-4(5(12)13)2-14-3-7(10,11)6(8)9/h4,6H,2-3H2,1H3,(H3,12,13)
InChIKeyFOWVKVBIVNECEY-UHFFFAOYSA-N
MW216.18 g/mol
LogP1.48
Rot. Bonds6

About 2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide

2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide (PubChem CID 43368914) has the molecular formula C7H12F4N2O and a molecular weight of 216.18 g/mol. Its IUPAC name is 2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide.

Molecular Properties

Compound Name2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide
PubChem CID43368914
Molecular FormulaC7H12F4N2O
Molecular Weight216.18 g/mol
Exact Mass216.09
IUPAC Name2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)COCC(F)(F)C(F)F
InChIInChI=1S/C7H12F4N2O/c1-4(5(12)13)2-14-3-7(10,11)6(8)9/h4,6H,2-3H2,1H3,(H3,12,13)
InChIKeyFOWVKVBIVNECEY-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
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 2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide?
The IUPAC name of 2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide (CID 43368914) is 2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide.
What is the SMILES notation for 2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide?
The canonical SMILES for 2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide is [H]/N=C(\N)C(C)COCC(F)(F)C(F)F.
What is the InChIKey of 2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide?
The InChIKey is FOWVKVBIVNECEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4N2O/c1-4(5(12)13)2-14-3-7(10,11)6(8)9/h4,6H,2-3H2,1H3,(H3,12,13).
What are the key properties of 2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide?
2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide has a molecular weight of 216.18 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanimidamide is sourced from PubChem (CID 43368914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).