2-fluoro-2-methylheptane

C8H17F — CID 22497751

IUPAC2-fluoro-2-methylheptane
SMILESCCCCCC(C)(C)F
InChIInChI=1S/C8H17F/c1-4-5-6-7-8(2,3)9/h4-7H2,1-3H3
InChIKeyCOBSYACHGCFTOB-UHFFFAOYSA-N
MW132.22 g/mol
LogP3.31
Rot. Bonds4

About 2-fluoro-2-methylheptane

2-fluoro-2-methylheptane (PubChem CID 22497751) has the molecular formula C8H17F and a molecular weight of 132.22 g/mol. Its IUPAC name is 2-fluoro-2-methylheptane.

Molecular Properties

Compound Name2-fluoro-2-methylheptane
PubChem CID22497751
Molecular FormulaC8H17F
Molecular Weight132.22 g/mol
Exact Mass132.13
IUPAC Name2-fluoro-2-methylheptane
SMILESCCCCCC(C)(C)F
InChIInChI=1S/C8H17F/c1-4-5-6-7-8(2,3)9/h4-7H2,1-3H3
InChIKeyCOBSYACHGCFTOB-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.22
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methylheptane?
The IUPAC name of 2-fluoro-2-methylheptane (CID 22497751) is 2-fluoro-2-methylheptane.
What is the SMILES notation for 2-fluoro-2-methylheptane?
The canonical SMILES for 2-fluoro-2-methylheptane is CCCCCC(C)(C)F.
What is the InChIKey of 2-fluoro-2-methylheptane?
The InChIKey is COBSYACHGCFTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F/c1-4-5-6-7-8(2,3)9/h4-7H2,1-3H3.
What are the key properties of 2-fluoro-2-methylheptane?
2-fluoro-2-methylheptane has a molecular weight of 132.22 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methylheptane is sourced from PubChem (CID 22497751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).