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

C6H11F3N2O — CID 66274598

IUPAC3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide
SMILES[H]/N=C(\N)CCOC(C)C(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-4(6(7,8)9)12-3-2-5(10)11/h4H,2-3H2,1H3,(H3,10,11)
InChIKeyOZWRVVSOALWLKO-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.28
Rot. Bonds4

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

3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide (PubChem CID 66274598) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is 3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide.

Molecular Properties

Compound Name3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide
PubChem CID66274598
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC Name3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide
SMILES[H]/N=C(\N)CCOC(C)C(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-4(6(7,8)9)12-3-2-5(10)11/h4H,2-3H2,1H3,(H3,10,11)
InChIKeyOZWRVVSOALWLKO-UHFFFAOYSA-N
XLogP1.28
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.28
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-trifluoropropan-2-yloxy)propanimidamide?
The IUPAC name of 3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide (CID 66274598) is 3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide.
What is the SMILES notation for 3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide?
The canonical SMILES for 3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide is [H]/N=C(\N)CCOC(C)C(F)(F)F.
What is the InChIKey of 3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide?
The InChIKey is OZWRVVSOALWLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c1-4(6(7,8)9)12-3-2-5(10)11/h4H,2-3H2,1H3,(H3,10,11).
What are the key properties of 3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide?
3-(1,1,1-trifluoropropan-2-yloxy)propanimidamide has a molecular weight of 184.16 g/mol, XLogP of 1.28, 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-trifluoropropan-2-yloxy)propanimidamide is sourced from PubChem (CID 66274598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).