4-fluoro-4-methyl-2-methylideneoxolan-3-ol

C6H9FO2 — CID 142721456

IUPAC4-fluoro-4-methyl-2-methylideneoxolan-3-ol
SMILESC=C1OCC(C)(F)C1O
InChIInChI=1S/C6H9FO2/c1-4-5(8)6(2,7)3-9-4/h5,8H,1,3H2,2H3
InChIKeyMDHZROJQNFKPNW-UHFFFAOYSA-N
MW132.13 g/mol
LogP0.62
Rot. Bonds

About 4-fluoro-4-methyl-2-methylideneoxolan-3-ol

4-fluoro-4-methyl-2-methylideneoxolan-3-ol (PubChem CID 142721456) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is 4-fluoro-4-methyl-2-methylideneoxolan-3-ol.

Molecular Properties

Compound Name4-fluoro-4-methyl-2-methylideneoxolan-3-ol
PubChem CID142721456
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name4-fluoro-4-methyl-2-methylideneoxolan-3-ol
SMILESC=C1OCC(C)(F)C1O
InChIInChI=1S/C6H9FO2/c1-4-5(8)6(2,7)3-9-4/h5,8H,1,3H2,2H3
InChIKeyMDHZROJQNFKPNW-UHFFFAOYSA-N
XLogP0.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2E,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol
CID 134853658
(2Z,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol
CID 134969754
(2S,3R,4S)-2-methyl-5-methylideneoxolane-3,4-diol
CID 60105624
CID 59488600
CID 59488600
(2S,4S)-2-methyl-5-methylideneoxolane-3,4-diol
CID 57893360
CID 58013917
CID 58013917
2-Methylideneoxolan-3-ol
CID 59525132
2-Methylideneoxolane-3,4-diol
CID 76835712
4,4-Dimethyl-2-methylideneoxolan-3-ol
CID 89151704
(3R,4R)-4-methyl-5-methylideneoxolan-3-ol
CID 89738192
(3R,4R)-2-methylideneoxolane-3,4-diol
CID 126601860
(3S,4S)-2-methylideneoxolane-3,4-diol
CID 58602405

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-2-methylideneoxolan-3-ol?
The IUPAC name of 4-fluoro-4-methyl-2-methylideneoxolan-3-ol (CID 142721456) is 4-fluoro-4-methyl-2-methylideneoxolan-3-ol.
What is the SMILES notation for 4-fluoro-4-methyl-2-methylideneoxolan-3-ol?
The canonical SMILES for 4-fluoro-4-methyl-2-methylideneoxolan-3-ol is C=C1OCC(C)(F)C1O.
What is the InChIKey of 4-fluoro-4-methyl-2-methylideneoxolan-3-ol?
The InChIKey is MDHZROJQNFKPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c1-4-5(8)6(2,7)3-9-4/h5,8H,1,3H2,2H3.
What are the key properties of 4-fluoro-4-methyl-2-methylideneoxolan-3-ol?
4-fluoro-4-methyl-2-methylideneoxolan-3-ol has a molecular weight of 132.13 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-2-methylideneoxolan-3-ol is sourced from PubChem (CID 142721456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).