4-(fluoromethyl)-4-methyloxane

C7H13FO — CID 118242109

IUPAC4-(fluoromethyl)-4-methyloxane
SMILESCC1(CF)CCOCC1
InChIInChI=1S/C7H13FO/c1-7(6-8)2-4-9-5-3-7/h2-6H2,1H3
InChIKeyAMPJBHPZQLBRII-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.77
Rot. Bonds1

About 4-(fluoromethyl)-4-methyloxane

4-(fluoromethyl)-4-methyloxane (PubChem CID 118242109) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 4-(fluoromethyl)-4-methyloxane.

Molecular Properties

Compound Name4-(fluoromethyl)-4-methyloxane
PubChem CID118242109
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name4-(fluoromethyl)-4-methyloxane
SMILESCC1(CF)CCOCC1
InChIInChI=1S/C7H13FO/c1-7(6-8)2-4-9-5-3-7/h2-6H2,1H3
InChIKeyAMPJBHPZQLBRII-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-4-methyloxane?
The IUPAC name of 4-(fluoromethyl)-4-methyloxane (CID 118242109) is 4-(fluoromethyl)-4-methyloxane.
What is the SMILES notation for 4-(fluoromethyl)-4-methyloxane?
The canonical SMILES for 4-(fluoromethyl)-4-methyloxane is CC1(CF)CCOCC1.
What is the InChIKey of 4-(fluoromethyl)-4-methyloxane?
The InChIKey is AMPJBHPZQLBRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-7(6-8)2-4-9-5-3-7/h2-6H2,1H3.
What are the key properties of 4-(fluoromethyl)-4-methyloxane?
4-(fluoromethyl)-4-methyloxane has a molecular weight of 132.18 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-4-methyloxane is sourced from PubChem (CID 118242109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).