4-fluoro-3-methylidenepentan-2-imine

C6H10FN — CID 126481383

IUPAC4-fluoro-3-methylidenepentan-2-imine
SMILES[H]/N=C(\C)C(=C)C(C)F
InChIInChI=1S/C6H10FN/c1-4(5(2)7)6(3)8/h5,8H,1H2,2-3H3/b8-6+
InChIKeyFWTKEDIMTWDMEM-SOFGYWHQSA-N
MW115.15 g/mol
LogP1.94
Rot. Bonds2

About 4-fluoro-3-methylidenepentan-2-imine

4-fluoro-3-methylidenepentan-2-imine (PubChem CID 126481383) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 4-fluoro-3-methylidenepentan-2-imine.

Molecular Properties

Compound Name4-fluoro-3-methylidenepentan-2-imine
PubChem CID126481383
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name4-fluoro-3-methylidenepentan-2-imine
SMILES[H]/N=C(\C)C(=C)C(C)F
InChIInChI=1S/C6H10FN/c1-4(5(2)7)6(3)8/h5,8H,1H2,2-3H3/b8-6+
InChIKeyFWTKEDIMTWDMEM-SOFGYWHQSA-N
XLogP1.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.94
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 4-fluoro-3-methylidenepentan-2-imine?
The IUPAC name of 4-fluoro-3-methylidenepentan-2-imine (CID 126481383) is 4-fluoro-3-methylidenepentan-2-imine.
What is the SMILES notation for 4-fluoro-3-methylidenepentan-2-imine?
The canonical SMILES for 4-fluoro-3-methylidenepentan-2-imine is [H]/N=C(\C)C(=C)C(C)F.
What is the InChIKey of 4-fluoro-3-methylidenepentan-2-imine?
The InChIKey is FWTKEDIMTWDMEM-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H10FN/c1-4(5(2)7)6(3)8/h5,8H,1H2,2-3H3/b8-6+.
What are the key properties of 4-fluoro-3-methylidenepentan-2-imine?
4-fluoro-3-methylidenepentan-2-imine has a molecular weight of 115.15 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methylidenepentan-2-imine is sourced from PubChem (CID 126481383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).