3-fluoro-3-methyloxane

C6H11FO — CID 67078335

IUPAC3-fluoro-3-methyloxane
SMILESCC1(F)CCCOC1
InChIInChI=1S/C6H11FO/c1-6(7)3-2-4-8-5-6/h2-5H2,1H3
InChIKeyJZLUSSLBROTZIH-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.52
Rot. Bonds

About 3-fluoro-3-methyloxane

3-fluoro-3-methyloxane (PubChem CID 67078335) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 3-fluoro-3-methyloxane.

Molecular Properties

Compound Name3-fluoro-3-methyloxane
PubChem CID67078335
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name3-fluoro-3-methyloxane
SMILESCC1(F)CCCOC1
InChIInChI=1S/C6H11FO/c1-6(7)3-2-4-8-5-6/h2-5H2,1H3
InChIKeyJZLUSSLBROTZIH-UHFFFAOYSA-N
XLogP1.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydro-3-methyl-2H-pyran
CID 117721
2-Fluoro-4-methyltetrahydropyran
CID 129723629
(R,S)-3-Methyl-tetrahydro-pyran
CID 58394480
3-(Fluoromethyl)oxane
CID 15311411
3-(1-Fluoroethyl)oxane
CID 21136565
3-Ethyl-2-fluorooxane
CID 58813258
4-Fluoro-4-propan-2-yloxane
CID 59326799
CID 59369470
CID 59369470
3-Fluoro-4-propan-2-yloxane
CID 59447843
3-Fluoro-4-methyloxane
CID 59734978
2,2-Difluoro-5-methyloxane
CID 59876024
4-Fluoro-4-methyloxane
CID 67077799

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyloxane?
The IUPAC name of 3-fluoro-3-methyloxane (CID 67078335) is 3-fluoro-3-methyloxane.
What is the SMILES notation for 3-fluoro-3-methyloxane?
The canonical SMILES for 3-fluoro-3-methyloxane is CC1(F)CCCOC1.
What is the InChIKey of 3-fluoro-3-methyloxane?
The InChIKey is JZLUSSLBROTZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-6(7)3-2-4-8-5-6/h2-5H2,1H3.
What are the key properties of 3-fluoro-3-methyloxane?
3-fluoro-3-methyloxane has a molecular weight of 118.15 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyloxane is sourced from PubChem (CID 67078335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).