1-ethoxy-2-fluoro-4-methylpentane

C8H17FO — CID 177039479

IUPAC1-ethoxy-2-fluoro-4-methylpentane
SMILESCCOCC(F)CC(C)C
InChIInChI=1S/C8H17FO/c1-4-10-6-8(9)5-7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyVNZWVZKGBCKMPR-UHFFFAOYSA-N
MW148.22 g/mol
LogP2.41
Rot. Bonds5

About 1-ethoxy-2-fluoro-4-methylpentane

1-ethoxy-2-fluoro-4-methylpentane (PubChem CID 177039479) has the molecular formula C8H17FO and a molecular weight of 148.22 g/mol. Its IUPAC name is 1-ethoxy-2-fluoro-4-methylpentane.

Molecular Properties

Compound Name1-ethoxy-2-fluoro-4-methylpentane
PubChem CID177039479
Molecular FormulaC8H17FO
Molecular Weight148.22 g/mol
Exact Mass148.13
IUPAC Name1-ethoxy-2-fluoro-4-methylpentane
SMILESCCOCC(F)CC(C)C
InChIInChI=1S/C8H17FO/c1-4-10-6-8(9)5-7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyVNZWVZKGBCKMPR-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.22
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-fluoro-4-methylpentane?
The IUPAC name of 1-ethoxy-2-fluoro-4-methylpentane (CID 177039479) is 1-ethoxy-2-fluoro-4-methylpentane.
What is the SMILES notation for 1-ethoxy-2-fluoro-4-methylpentane?
The canonical SMILES for 1-ethoxy-2-fluoro-4-methylpentane is CCOCC(F)CC(C)C.
What is the InChIKey of 1-ethoxy-2-fluoro-4-methylpentane?
The InChIKey is VNZWVZKGBCKMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO/c1-4-10-6-8(9)5-7(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-ethoxy-2-fluoro-4-methylpentane?
1-ethoxy-2-fluoro-4-methylpentane has a molecular weight of 148.22 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-fluoro-4-methylpentane is sourced from PubChem (CID 177039479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).