3,3,3-trifluoro-2-(1,1,1-trifluoropropan-2-yloxymethyl)propanimidamide

C7H10F6N2O — CID 103371071

IUPAC3,3,3-trifluoro-2-(1,1,1-trifluoropropan-2-yloxymethyl)propanimidamide
SMILES[H]/N=C(\N)C(COC(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6N2O/c1-3(6(8,9)10)16-2-4(5(14)15)7(11,12)13/h3-4H,2H2,1H3,(H3,14,15)
InChIKeyHAJLXPYRVDCIBL-UHFFFAOYSA-N
MW252.16 g/mol
LogP2.07
Rot. Bonds4

About 3,3,3-trifluoro-2-(1,1,1-trifluoropropan-2-yloxymethyl)propanimidamide

3,3,3-trifluoro-2-(1,1,1-trifluoropropan-2-yloxymethyl)propanimidamide (PubChem CID 103371071) has the molecular formula C7H10F6N2O and a molecular weight of 252.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(1,1,1-trifluoropropan-2-yloxymethyl)propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(1,1,1-trifluoropropan-2-yloxymethyl)propanimidamide
PubChem CID103371071
Molecular FormulaC7H10F6N2O
Molecular Weight252.16 g/mol
Exact Mass252.07
IUPAC Name3,3,3-trifluoro-2-(1,1,1-trifluoropropan-2-yloxymethyl)propanimidamide
SMILES[H]/N=C(\N)C(COC(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6N2O/c1-3(6(8,9)10)16-2-4(5(14)15)7(11,12)13/h3-4H,2H2,1H3,(H3,14,15)
InChIKeyHAJLXPYRVDCIBL-UHFFFAOYSA-N
XLogP2.07
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 52.07
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 3,3,3-trifluoro-2-(1,1,1-trifluoropropan-2-yloxymethyl)propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-(1,1,1-trifluoropropan-2-yloxymethyl)propanimidamide (CID 103371071) is 3,3,3-trifluoro-2-(1,1,1-trifluoropropan-2-yloxymethyl)propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-(1,1,1-trifluoropropan-2-yloxymethyl)propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-(1,1,1-trifluoropropan-2-yloxymethyl)propanimidamide is [H]/N=C(\N)C(COC(C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(1,1,1-trifluoropropan-2-yloxymethyl)propanimidamide?
The InChIKey is HAJLXPYRVDCIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6N2O/c1-3(6(8,9)10)16-2-4(5(14)15)7(11,12)13/h3-4H,2H2,1H3,(H3,14,15).
What are the key properties of 3,3,3-trifluoro-2-(1,1,1-trifluoropropan-2-yloxymethyl)propanimidamide?
3,3,3-trifluoro-2-(1,1,1-trifluoropropan-2-yloxymethyl)propanimidamide has a molecular weight of 252.16 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(1,1,1-trifluoropropan-2-yloxymethyl)propanimidamide is sourced from PubChem (CID 103371071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).