3-fluoro-2-methyloxane

C6H11FO — CID 134863991

IUPAC3-fluoro-2-methyloxane
SMILESCC1OCCCC1F
InChIInChI=1S/C6H11FO/c1-5-6(7)3-2-4-8-5/h5-6H,2-4H2,1H3
InChIKeyXCDVCDOCTFBQJD-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.52
Rot. Bonds

About 3-fluoro-2-methyloxane

3-fluoro-2-methyloxane (PubChem CID 134863991) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 3-fluoro-2-methyloxane.

Molecular Properties

Compound Name3-fluoro-2-methyloxane
PubChem CID134863991
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name3-fluoro-2-methyloxane
SMILESCC1OCCCC1F
InChIInChI=1S/C6H11FO/c1-5-6(7)3-2-4-8-5/h5-6H,2-4H2,1H3
InChIKeyXCDVCDOCTFBQJD-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

2-Methyloxane
CID 139099
(1R,2R)-1-Fluoro-2-methoxycyclohexane
CID 12700789
2-Fluoro-6-methyltetra-hydropyran
CID 129723562
2H-Pyran, 2-ethyltetrahydro-, (S)-
CID 7783978
(2R,6S)-2,6-dimethyltetrahydro-2H-pyran
CID 643052
2-Ethyl-tetrahydropyran
CID 4395139
(2S)-2-methyloxane
CID 12465995
Tetrahydro-2,6-dimethylpyran
CID 12708563
cis-(1R,2S)-1-fluoro-2-methoxycyclohexane
CID 101665102
trans-(1S,2S)-1-fluoro-2-methoxycyclohexane
CID 101993893
(2S,6R)-4-fluoro-2,6-dimethyloxane
CID 134838970
4-Methoxy-2-methyl-tetrahydropyran
CID 21644100

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyloxane?
The IUPAC name of 3-fluoro-2-methyloxane (CID 134863991) is 3-fluoro-2-methyloxane.
What is the SMILES notation for 3-fluoro-2-methyloxane?
The canonical SMILES for 3-fluoro-2-methyloxane is CC1OCCCC1F.
What is the InChIKey of 3-fluoro-2-methyloxane?
The InChIKey is XCDVCDOCTFBQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-5-6(7)3-2-4-8-5/h5-6H,2-4H2,1H3.
What are the key properties of 3-fluoro-2-methyloxane?
3-fluoro-2-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-2-methyloxane is sourced from PubChem (CID 134863991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).