3-fluoro-2,5-dimethyloxane

C7H13FO — CID 59227680

IUPAC3-fluoro-2,5-dimethyloxane
SMILESCC1COC(C)C(F)C1
InChIInChI=1S/C7H13FO/c1-5-3-7(8)6(2)9-4-5/h5-7H,3-4H2,1-2H3
InChIKeyVOZKENWUQDIPHW-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.77
Rot. Bonds

About 3-fluoro-2,5-dimethyloxane

3-fluoro-2,5-dimethyloxane (PubChem CID 59227680) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 3-fluoro-2,5-dimethyloxane.

Molecular Properties

Compound Name3-fluoro-2,5-dimethyloxane
PubChem CID59227680
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name3-fluoro-2,5-dimethyloxane
SMILESCC1COC(C)C(F)C1
InChIInChI=1S/C7H13FO/c1-5-3-7(8)6(2)9-4-5/h5-7H,3-4H2,1-2H3
InChIKeyVOZKENWUQDIPHW-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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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Related Compounds

2-Trifluoro-methyl-4-methyltetrahydropyran
CID 129270069
2-Fluoro-6-methyltetra-hydropyran
CID 129723562
3-Fluoro-2-methyloxane
CID 134863991
(2R,4S)-4-fluoro-2-propan-2-yloxane
CID 154718108
Nybuufnuflwzpp-hsuxutppsa-
CID 23270849
Nybuufnuflwzpp-ngjcxoissa-
CID 23270850
3-(1-Fluoroethyl)oxane
CID 21136565
2,2-Difluoro-3,6-dimethyloxane
CID 57702275
(4S,5R)-2-fluoro-6-(fluoromethyl)-3,4,5-trimethyloxane
CID 58241357
(4S,5R)-2-fluoro-3,4,5,6-tetramethyloxane
CID 58241366
2-Ethyl-2-fluoro-3-methyloxane
CID 58545281
2-Ethyl-3-(fluoromethyl)oxolane
CID 58612489

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,5-dimethyloxane?
The IUPAC name of 3-fluoro-2,5-dimethyloxane (CID 59227680) is 3-fluoro-2,5-dimethyloxane.
What is the SMILES notation for 3-fluoro-2,5-dimethyloxane?
The canonical SMILES for 3-fluoro-2,5-dimethyloxane is CC1COC(C)C(F)C1.
What is the InChIKey of 3-fluoro-2,5-dimethyloxane?
The InChIKey is VOZKENWUQDIPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-5-3-7(8)6(2)9-4-5/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-2,5-dimethyloxane?
3-fluoro-2,5-dimethyloxane has a molecular weight of 132.18 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,5-dimethyloxane is sourced from PubChem (CID 59227680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).