6-ethyl-1-(fluoromethoxy)nonane

C12H25FO — CID 174379450

IUPAC6-ethyl-1-(fluoromethoxy)nonane
SMILESCCCC(CC)CCCCCOCF
InChIInChI=1S/C12H25FO/c1-3-8-12(4-2)9-6-5-7-10-14-11-13/h12H,3-11H2,1-2H3
InChIKeyJVUWYHUYTWUPKG-UHFFFAOYSA-N
MW204.33 g/mol
LogP4.32
Rot. Bonds10

About 6-ethyl-1-(fluoromethoxy)nonane

6-ethyl-1-(fluoromethoxy)nonane (PubChem CID 174379450) has the molecular formula C12H25FO and a molecular weight of 204.33 g/mol. Its IUPAC name is 6-ethyl-1-(fluoromethoxy)nonane.

Molecular Properties

Compound Name6-ethyl-1-(fluoromethoxy)nonane
PubChem CID174379450
Molecular FormulaC12H25FO
Molecular Weight204.33 g/mol
Exact Mass204.19
IUPAC Name6-ethyl-1-(fluoromethoxy)nonane
SMILESCCCC(CC)CCCCCOCF
InChIInChI=1S/C12H25FO/c1-3-8-12(4-2)9-6-5-7-10-14-11-13/h12H,3-11H2,1-2H3
InChIKeyJVUWYHUYTWUPKG-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 54.32
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-ethyl-1-(fluoromethoxy)nonane?
The IUPAC name of 6-ethyl-1-(fluoromethoxy)nonane (CID 174379450) is 6-ethyl-1-(fluoromethoxy)nonane.
What is the SMILES notation for 6-ethyl-1-(fluoromethoxy)nonane?
The canonical SMILES for 6-ethyl-1-(fluoromethoxy)nonane is CCCC(CC)CCCCCOCF.
What is the InChIKey of 6-ethyl-1-(fluoromethoxy)nonane?
The InChIKey is JVUWYHUYTWUPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FO/c1-3-8-12(4-2)9-6-5-7-10-14-11-13/h12H,3-11H2,1-2H3.
What are the key properties of 6-ethyl-1-(fluoromethoxy)nonane?
6-ethyl-1-(fluoromethoxy)nonane has a molecular weight of 204.33 g/mol, XLogP of 4.32, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(fluoromethoxy)nonane is sourced from PubChem (CID 174379450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).