2-fluoro-1-methoxy-3-methylpentane

C7H15FO — CID 142892470

IUPAC2-fluoro-1-methoxy-3-methylpentane
SMILESCCC(C)C(F)COC
InChIInChI=1S/C7H15FO/c1-4-6(2)7(8)5-9-3/h6-7H,4-5H2,1-3H3
InChIKeyACPVVLSBQODMFA-UHFFFAOYSA-N
MW134.19 g/mol
LogP2.02
Rot. Bonds4

About 2-fluoro-1-methoxy-3-methylpentane

2-fluoro-1-methoxy-3-methylpentane (PubChem CID 142892470) has the molecular formula C7H15FO and a molecular weight of 134.19 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-3-methylpentane.

Molecular Properties

Compound Name2-fluoro-1-methoxy-3-methylpentane
PubChem CID142892470
Molecular FormulaC7H15FO
Molecular Weight134.19 g/mol
Exact Mass134.11
IUPAC Name2-fluoro-1-methoxy-3-methylpentane
SMILESCCC(C)C(F)COC
InChIInChI=1S/C7H15FO/c1-4-6(2)7(8)5-9-3/h6-7H,4-5H2,1-3H3
InChIKeyACPVVLSBQODMFA-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.19
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-3-methylpentane?
The IUPAC name of 2-fluoro-1-methoxy-3-methylpentane (CID 142892470) is 2-fluoro-1-methoxy-3-methylpentane.
What is the SMILES notation for 2-fluoro-1-methoxy-3-methylpentane?
The canonical SMILES for 2-fluoro-1-methoxy-3-methylpentane is CCC(C)C(F)COC.
What is the InChIKey of 2-fluoro-1-methoxy-3-methylpentane?
The InChIKey is ACPVVLSBQODMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO/c1-4-6(2)7(8)5-9-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-fluoro-1-methoxy-3-methylpentane?
2-fluoro-1-methoxy-3-methylpentane has a molecular weight of 134.19 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-3-methylpentane is sourced from PubChem (CID 142892470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).