6-(3,3-dimethylbutoxy)-1-fluoro-3,3-dimethylhexane

C14H29FO — CID 135291325

IUPAC6-(3,3-dimethylbutoxy)-1-fluoro-3,3-dimethylhexane
SMILESCC(C)(C)CCOCCCC(C)(C)CCF
InChIInChI=1S/C14H29FO/c1-13(2,3)9-12-16-11-6-7-14(4,5)8-10-15/h6-12H2,1-5H3
InChIKeyGWRVPHZUIMQMLN-UHFFFAOYSA-N
MW232.38 g/mol
LogP4.61
Rot. Bonds8

About 6-(3,3-dimethylbutoxy)-1-fluoro-3,3-dimethylhexane

6-(3,3-dimethylbutoxy)-1-fluoro-3,3-dimethylhexane (PubChem CID 135291325) has the molecular formula C14H29FO and a molecular weight of 232.38 g/mol. Its IUPAC name is 6-(3,3-dimethylbutoxy)-1-fluoro-3,3-dimethylhexane.

Molecular Properties

Compound Name6-(3,3-dimethylbutoxy)-1-fluoro-3,3-dimethylhexane
PubChem CID135291325
Molecular FormulaC14H29FO
Molecular Weight232.38 g/mol
Exact Mass232.22
IUPAC Name6-(3,3-dimethylbutoxy)-1-fluoro-3,3-dimethylhexane
SMILESCC(C)(C)CCOCCCC(C)(C)CCF
InChIInChI=1S/C14H29FO/c1-13(2,3)9-12-16-11-6-7-14(4,5)8-10-15/h6-12H2,1-5H3
InChIKeyGWRVPHZUIMQMLN-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-(3,3-dimethylbutoxy)-1-fluoro-3,3-dimethylhexane?
The IUPAC name of 6-(3,3-dimethylbutoxy)-1-fluoro-3,3-dimethylhexane (CID 135291325) is 6-(3,3-dimethylbutoxy)-1-fluoro-3,3-dimethylhexane.
What is the SMILES notation for 6-(3,3-dimethylbutoxy)-1-fluoro-3,3-dimethylhexane?
The canonical SMILES for 6-(3,3-dimethylbutoxy)-1-fluoro-3,3-dimethylhexane is CC(C)(C)CCOCCCC(C)(C)CCF.
What is the InChIKey of 6-(3,3-dimethylbutoxy)-1-fluoro-3,3-dimethylhexane?
The InChIKey is GWRVPHZUIMQMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FO/c1-13(2,3)9-12-16-11-6-7-14(4,5)8-10-15/h6-12H2,1-5H3.
What are the key properties of 6-(3,3-dimethylbutoxy)-1-fluoro-3,3-dimethylhexane?
6-(3,3-dimethylbutoxy)-1-fluoro-3,3-dimethylhexane has a molecular weight of 232.38 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylbutoxy)-1-fluoro-3,3-dimethylhexane is sourced from PubChem (CID 135291325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).