3-fluoro-3-methylbutan-2-imine

C5H10FN — CID 138663374

IUPAC3-fluoro-3-methylbutan-2-imine
SMILES[H]/N=C(\C)C(C)(C)F
InChIInChI=1S/C5H10FN/c1-4(7)5(2,3)6/h7H,1-3H3/b7-4+
InChIKeyGVIKPNSHWCFIGV-QPJJXVBHSA-N
MW103.14 g/mol
LogP1.77
Rot. Bonds1

About 3-fluoro-3-methylbutan-2-imine

3-fluoro-3-methylbutan-2-imine (PubChem CID 138663374) has the molecular formula C5H10FN and a molecular weight of 103.14 g/mol. Its IUPAC name is 3-fluoro-3-methylbutan-2-imine.

Molecular Properties

Compound Name3-fluoro-3-methylbutan-2-imine
PubChem CID138663374
Molecular FormulaC5H10FN
Molecular Weight103.14 g/mol
Exact Mass103.08
IUPAC Name3-fluoro-3-methylbutan-2-imine
SMILES[H]/N=C(\C)C(C)(C)F
InChIInChI=1S/C5H10FN/c1-4(7)5(2,3)6/h7H,1-3H3/b7-4+
InChIKeyGVIKPNSHWCFIGV-QPJJXVBHSA-N
XLogP1.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methylbutan-2-imine?
The IUPAC name of 3-fluoro-3-methylbutan-2-imine (CID 138663374) is 3-fluoro-3-methylbutan-2-imine.
What is the SMILES notation for 3-fluoro-3-methylbutan-2-imine?
The canonical SMILES for 3-fluoro-3-methylbutan-2-imine is [H]/N=C(\C)C(C)(C)F.
What is the InChIKey of 3-fluoro-3-methylbutan-2-imine?
The InChIKey is GVIKPNSHWCFIGV-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H10FN/c1-4(7)5(2,3)6/h7H,1-3H3/b7-4+.
What are the key properties of 3-fluoro-3-methylbutan-2-imine?
3-fluoro-3-methylbutan-2-imine has a molecular weight of 103.14 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methylbutan-2-imine is sourced from PubChem (CID 138663374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).