3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanimidamide

C6H8F6N2O — CID 102722351

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanimidamide
SMILES[H]/N=C(\N)CCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6N2O/c7-5(8,9)4(6(10,11)12)15-2-1-3(13)14/h4H,1-2H2,(H3,13,14)
InChIKeyYDQKQHRSDNIHAS-UHFFFAOYSA-N
MW238.13 g/mol
LogP1.82
Rot. Bonds4

About 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanimidamide

3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanimidamide (PubChem CID 102722351) has the molecular formula C6H8F6N2O and a molecular weight of 238.13 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanimidamide.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanimidamide
PubChem CID102722351
Molecular FormulaC6H8F6N2O
Molecular Weight238.13 g/mol
Exact Mass238.05
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanimidamide
SMILES[H]/N=C(\N)CCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6N2O/c7-5(8,9)4(6(10,11)12)15-2-1-3(13)14/h4H,1-2H2,(H3,13,14)
InChIKeyYDQKQHRSDNIHAS-UHFFFAOYSA-N
XLogP1.82
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 51.82
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanimidamide?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanimidamide (CID 102722351) is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanimidamide.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanimidamide?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanimidamide is [H]/N=C(\N)CCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanimidamide?
The InChIKey is YDQKQHRSDNIHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6N2O/c7-5(8,9)4(6(10,11)12)15-2-1-3(13)14/h4H,1-2H2,(H3,13,14).
What are the key properties of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanimidamide?
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanimidamide has a molecular weight of 238.13 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanimidamide is sourced from PubChem (CID 102722351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).