1-(fluoromethoxy)pentane

C6H13FO — CID 59049879

IUPAC1-(fluoromethoxy)pentane
SMILESCCCCCOCF
InChIInChI=1S/C6H13FO/c1-2-3-4-5-8-6-7/h2-6H2,1H3
InChIKeyNDOSBYOKHOEYQL-UHFFFAOYSA-N
MW120.17 g/mol
LogP2.12
Rot. Bonds5

About 1-(fluoromethoxy)pentane

1-(fluoromethoxy)pentane (PubChem CID 59049879) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is 1-(fluoromethoxy)pentane.

Molecular Properties

Compound Name1-(fluoromethoxy)pentane
PubChem CID59049879
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name1-(fluoromethoxy)pentane
SMILESCCCCCOCF
InChIInChI=1S/C6H13FO/c1-2-3-4-5-8-6-7/h2-6H2,1H3
InChIKeyNDOSBYOKHOEYQL-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 52.12
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 1-(fluoromethoxy)pentane?
The IUPAC name of 1-(fluoromethoxy)pentane (CID 59049879) is 1-(fluoromethoxy)pentane.
What is the SMILES notation for 1-(fluoromethoxy)pentane?
The canonical SMILES for 1-(fluoromethoxy)pentane is CCCCCOCF.
What is the InChIKey of 1-(fluoromethoxy)pentane?
The InChIKey is NDOSBYOKHOEYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-2-3-4-5-8-6-7/h2-6H2,1H3.
What are the key properties of 1-(fluoromethoxy)pentane?
1-(fluoromethoxy)pentane has a molecular weight of 120.17 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)pentane is sourced from PubChem (CID 59049879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).