2-fluoro-3,3-dimethylbutanimidamide

C6H13FN2 — CID 115011257

IUPAC2-fluoro-3,3-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(F)C(C)(C)C
InChIInChI=1S/C6H13FN2/c1-6(2,3)4(7)5(8)9/h4H,1-3H3,(H3,8,9)
InChIKeyUPCKGUOCOIROGW-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.31
Rot. Bonds1

About 2-fluoro-3,3-dimethylbutanimidamide

2-fluoro-3,3-dimethylbutanimidamide (PubChem CID 115011257) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is 2-fluoro-3,3-dimethylbutanimidamide.

Molecular Properties

Compound Name2-fluoro-3,3-dimethylbutanimidamide
PubChem CID115011257
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name2-fluoro-3,3-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(F)C(C)(C)C
InChIInChI=1S/C6H13FN2/c1-6(2,3)4(7)5(8)9/h4H,1-3H3,(H3,8,9)
InChIKeyUPCKGUOCOIROGW-UHFFFAOYSA-N
XLogP1.31
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 2-fluoro-3,3-dimethylbutanimidamide?
The IUPAC name of 2-fluoro-3,3-dimethylbutanimidamide (CID 115011257) is 2-fluoro-3,3-dimethylbutanimidamide.
What is the SMILES notation for 2-fluoro-3,3-dimethylbutanimidamide?
The canonical SMILES for 2-fluoro-3,3-dimethylbutanimidamide is [H]/N=C(\N)C(F)C(C)(C)C.
What is the InChIKey of 2-fluoro-3,3-dimethylbutanimidamide?
The InChIKey is UPCKGUOCOIROGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c1-6(2,3)4(7)5(8)9/h4H,1-3H3,(H3,8,9).
What are the key properties of 2-fluoro-3,3-dimethylbutanimidamide?
2-fluoro-3,3-dimethylbutanimidamide has a molecular weight of 132.18 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,3-dimethylbutanimidamide is sourced from PubChem (CID 115011257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).