3-fluoro-N-methylbutan-1-imine

C5H10FN — CID 134319133

IUPAC3-fluoro-N-methylbutan-1-imine
SMILESC/N=C/CC(C)F
InChIInChI=1S/C5H10FN/c1-5(6)3-4-7-2/h4-5H,3H2,1-2H3/b7-4+
InChIKeyNNIGRZVYWNAFOR-QPJJXVBHSA-N
MW103.14 g/mol
LogP1.44
Rot. Bonds2

About 3-fluoro-N-methylbutan-1-imine

3-fluoro-N-methylbutan-1-imine (PubChem CID 134319133) has the molecular formula C5H10FN and a molecular weight of 103.14 g/mol. Its IUPAC name is 3-fluoro-N-methylbutan-1-imine.

Molecular Properties

Compound Name3-fluoro-N-methylbutan-1-imine
PubChem CID134319133
Molecular FormulaC5H10FN
Molecular Weight103.14 g/mol
Exact Mass103.08
IUPAC Name3-fluoro-N-methylbutan-1-imine
SMILESC/N=C/CC(C)F
InChIInChI=1S/C5H10FN/c1-5(6)3-4-7-2/h4-5H,3H2,1-2H3/b7-4+
InChIKeyNNIGRZVYWNAFOR-QPJJXVBHSA-N
XLogP1.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 51.44
H-Bond Donors ≤ 50
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-N-methylbutan-1-imine?
The IUPAC name of 3-fluoro-N-methylbutan-1-imine (CID 134319133) is 3-fluoro-N-methylbutan-1-imine.
What is the SMILES notation for 3-fluoro-N-methylbutan-1-imine?
The canonical SMILES for 3-fluoro-N-methylbutan-1-imine is C/N=C/CC(C)F.
What is the InChIKey of 3-fluoro-N-methylbutan-1-imine?
The InChIKey is NNIGRZVYWNAFOR-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H10FN/c1-5(6)3-4-7-2/h4-5H,3H2,1-2H3/b7-4+.
What are the key properties of 3-fluoro-N-methylbutan-1-imine?
3-fluoro-N-methylbutan-1-imine has a molecular weight of 103.14 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methylbutan-1-imine is sourced from PubChem (CID 134319133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).