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

C6H10F4N2O — CID 29004862

IUPAC3-(2,2,3,3-tetrafluoropropoxy)propanimidamide
SMILES[H]/N=C(\N)CCOCC(F)(F)C(F)F
InChIInChI=1S/C6H10F4N2O/c7-5(8)6(9,10)3-13-2-1-4(11)12/h5H,1-3H2,(H3,11,12)
InChIKeyMFZFPRNOFJYVGM-UHFFFAOYSA-N
MW202.15 g/mol
LogP1.23
Rot. Bonds6

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

3-(2,2,3,3-tetrafluoropropoxy)propanimidamide (PubChem CID 29004862) has the molecular formula C6H10F4N2O and a molecular weight of 202.15 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropoxy)propanimidamide.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropoxy)propanimidamide
PubChem CID29004862
Molecular FormulaC6H10F4N2O
Molecular Weight202.15 g/mol
Exact Mass202.07
IUPAC Name3-(2,2,3,3-tetrafluoropropoxy)propanimidamide
SMILES[H]/N=C(\N)CCOCC(F)(F)C(F)F
InChIInChI=1S/C6H10F4N2O/c7-5(8)6(9,10)3-13-2-1-4(11)12/h5H,1-3H2,(H3,11,12)
InChIKeyMFZFPRNOFJYVGM-UHFFFAOYSA-N
XLogP1.23
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.15
LogP ≤ 51.23
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 3-(2,2,3,3-tetrafluoropropoxy)propanimidamide?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)propanimidamide (CID 29004862) is 3-(2,2,3,3-tetrafluoropropoxy)propanimidamide.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropoxy)propanimidamide?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropoxy)propanimidamide is [H]/N=C(\N)CCOCC(F)(F)C(F)F.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropoxy)propanimidamide?
The InChIKey is MFZFPRNOFJYVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4N2O/c7-5(8)6(9,10)3-13-2-1-4(11)12/h5H,1-3H2,(H3,11,12).
What are the key properties of 3-(2,2,3,3-tetrafluoropropoxy)propanimidamide?
3-(2,2,3,3-tetrafluoropropoxy)propanimidamide has a molecular weight of 202.15 g/mol, XLogP of 1.23, 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)propanimidamide is sourced from PubChem (CID 29004862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).