2-(fluoromethyl)-4-methyloxolane

C6H11FO — CID 171761963

IUPAC2-(fluoromethyl)-4-methyloxolane
SMILESCC1COC(CF)C1
InChIInChI=1S/C6H11FO/c1-5-2-6(3-7)8-4-5/h5-6H,2-4H2,1H3
InChIKeyJTKNKODPCHSWSZ-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.38
Rot. Bonds1

About 2-(fluoromethyl)-4-methyloxolane

2-(fluoromethyl)-4-methyloxolane (PubChem CID 171761963) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 2-(fluoromethyl)-4-methyloxolane.

Molecular Properties

Compound Name2-(fluoromethyl)-4-methyloxolane
PubChem CID171761963
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name2-(fluoromethyl)-4-methyloxolane
SMILESCC1COC(CF)C1
InChIInChI=1S/C6H11FO/c1-5-2-6(3-7)8-4-5/h5-6H,2-4H2,1H3
InChIKeyJTKNKODPCHSWSZ-UHFFFAOYSA-N
XLogP1.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-Dimethyltetrahydrofuran
CID 520942
2-Ethyl-4-methyltetrahydrofuran
CID 59018485
Furan, tetrahydro-2,4-dimethyl-, cis-
CID 6432406
4-Ethyltetrahydro-2-methylfuran
CID 13334303
2,3-Dimethyloxolane
CID 13487342
3-Ethyltetrahydro-2-methylfuran
CID 21062445
2,2-Difluoro-3,5-dimethyloxolane
CID 20802266
2,3-Bis(fluoromethyl)oxolane
CID 21301298
2-Ethyl-4-fluoro-3,5-dimethyloxolane
CID 23557851
2,4-Dimethyl-2-(trifluoromethyl)oxolane
CID 57682249
2-Ethyl-3-(fluoromethyl)oxolane
CID 58612489
CID 58681794
CID 58681794

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-4-methyloxolane?
The IUPAC name of 2-(fluoromethyl)-4-methyloxolane (CID 171761963) is 2-(fluoromethyl)-4-methyloxolane.
What is the SMILES notation for 2-(fluoromethyl)-4-methyloxolane?
The canonical SMILES for 2-(fluoromethyl)-4-methyloxolane is CC1COC(CF)C1.
What is the InChIKey of 2-(fluoromethyl)-4-methyloxolane?
The InChIKey is JTKNKODPCHSWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-5-2-6(3-7)8-4-5/h5-6H,2-4H2,1H3.
What are the key properties of 2-(fluoromethyl)-4-methyloxolane?
2-(fluoromethyl)-4-methyloxolane has a molecular weight of 118.15 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-4-methyloxolane is sourced from PubChem (CID 171761963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).