3-fluoro-4-propan-2-yloxane

C8H15FO — CID 59447843

IUPAC3-fluoro-4-propan-2-yloxane
SMILESCC(C)C1CCOCC1F
InChIInChI=1S/C8H15FO/c1-6(2)7-3-4-10-5-8(7)9/h6-8H,3-5H2,1-2H3
InChIKeySTUQVXYWSBOCAT-UHFFFAOYSA-N
MW146.21 g/mol
LogP2.02
Rot. Bonds1

About 3-fluoro-4-propan-2-yloxane

3-fluoro-4-propan-2-yloxane (PubChem CID 59447843) has the molecular formula C8H15FO and a molecular weight of 146.21 g/mol. Its IUPAC name is 3-fluoro-4-propan-2-yloxane.

Molecular Properties

Compound Name3-fluoro-4-propan-2-yloxane
PubChem CID59447843
Molecular FormulaC8H15FO
Molecular Weight146.21 g/mol
Exact Mass146.11
IUPAC Name3-fluoro-4-propan-2-yloxane
SMILESCC(C)C1CCOCC1F
InChIInChI=1S/C8H15FO/c1-6(2)7-3-4-10-5-8(7)9/h6-8H,3-5H2,1-2H3
InChIKeySTUQVXYWSBOCAT-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-propan-2-yloxane?
The IUPAC name of 3-fluoro-4-propan-2-yloxane (CID 59447843) is 3-fluoro-4-propan-2-yloxane.
What is the SMILES notation for 3-fluoro-4-propan-2-yloxane?
The canonical SMILES for 3-fluoro-4-propan-2-yloxane is CC(C)C1CCOCC1F.
What is the InChIKey of 3-fluoro-4-propan-2-yloxane?
The InChIKey is STUQVXYWSBOCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO/c1-6(2)7-3-4-10-5-8(7)9/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-4-propan-2-yloxane?
3-fluoro-4-propan-2-yloxane has a molecular weight of 146.21 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-propan-2-yloxane is sourced from PubChem (CID 59447843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).