5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide

C8H15F3N2O — CID 66274818

IUPAC5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide
SMILES[H]/N=C(\N)CCCCOC(C)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-6(8(9,10)11)14-5-3-2-4-7(12)13/h6H,2-5H2,1H3,(H3,12,13)
InChIKeyKVPSMQIUTOCBQG-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.06
Rot. Bonds6

About 5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide

5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide (PubChem CID 66274818) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide.

Molecular Properties

Compound Name5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide
PubChem CID66274818
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide
SMILES[H]/N=C(\N)CCCCOC(C)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-6(8(9,10)11)14-5-3-2-4-7(12)13/h6H,2-5H2,1H3,(H3,12,13)
InChIKeyKVPSMQIUTOCBQG-UHFFFAOYSA-N
XLogP2.06
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.06
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide?
The IUPAC name of 5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide (CID 66274818) is 5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide.
What is the SMILES notation for 5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide?
The canonical SMILES for 5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide is [H]/N=C(\N)CCCCOC(C)C(F)(F)F.
What is the InChIKey of 5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide?
The InChIKey is KVPSMQIUTOCBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-6(8(9,10)11)14-5-3-2-4-7(12)13/h6H,2-5H2,1H3,(H3,12,13).
What are the key properties of 5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide?
5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide has a molecular weight of 212.21 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide is sourced from PubChem (CID 66274818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).