2-fluoro-5-methyl-3-methylideneheptane

C9H17F — CID 130181565

IUPAC2-fluoro-5-methyl-3-methylideneheptane
SMILESC=C(CC(C)CC)C(C)F
InChIInChI=1S/C9H17F/c1-5-7(2)6-8(3)9(4)10/h7,9H,3,5-6H2,1-2,4H3
InChIKeyMUGFZBLDSSZWPK-UHFFFAOYSA-N
MW144.23 g/mol
LogP3.34
Rot. Bonds4

About 2-fluoro-5-methyl-3-methylideneheptane

2-fluoro-5-methyl-3-methylideneheptane (PubChem CID 130181565) has the molecular formula C9H17F and a molecular weight of 144.23 g/mol. Its IUPAC name is 2-fluoro-5-methyl-3-methylideneheptane.

Molecular Properties

Compound Name2-fluoro-5-methyl-3-methylideneheptane
PubChem CID130181565
Molecular FormulaC9H17F
Molecular Weight144.23 g/mol
Exact Mass144.13
IUPAC Name2-fluoro-5-methyl-3-methylideneheptane
SMILESC=C(CC(C)CC)C(C)F
InChIInChI=1S/C9H17F/c1-5-7(2)6-8(3)9(4)10/h7,9H,3,5-6H2,1-2,4H3
InChIKeyMUGFZBLDSSZWPK-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.23
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-3-methylideneheptane?
The IUPAC name of 2-fluoro-5-methyl-3-methylideneheptane (CID 130181565) is 2-fluoro-5-methyl-3-methylideneheptane.
What is the SMILES notation for 2-fluoro-5-methyl-3-methylideneheptane?
The canonical SMILES for 2-fluoro-5-methyl-3-methylideneheptane is C=C(CC(C)CC)C(C)F.
What is the InChIKey of 2-fluoro-5-methyl-3-methylideneheptane?
The InChIKey is MUGFZBLDSSZWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F/c1-5-7(2)6-8(3)9(4)10/h7,9H,3,5-6H2,1-2,4H3.
What are the key properties of 2-fluoro-5-methyl-3-methylideneheptane?
2-fluoro-5-methyl-3-methylideneheptane has a molecular weight of 144.23 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-3-methylideneheptane is sourced from PubChem (CID 130181565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).