3,3-difluoro-2-methyloxane

C6H10F2O — CID 146204349

IUPAC3,3-difluoro-2-methyloxane
SMILESCC1OCCCC1(F)F
InChIInChI=1S/C6H10F2O/c1-5-6(7,8)3-2-4-9-5/h5H,2-4H2,1H3
InChIKeyLWVOQDWZSDIBOI-UHFFFAOYSA-N
MW136.14 g/mol
LogP1.82
Rot. Bonds

About 3,3-difluoro-2-methyloxane

3,3-difluoro-2-methyloxane (PubChem CID 146204349) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 3,3-difluoro-2-methyloxane.

Molecular Properties

Compound Name3,3-difluoro-2-methyloxane
PubChem CID146204349
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name3,3-difluoro-2-methyloxane
SMILESCC1OCCCC1(F)F
InChIInChI=1S/C6H10F2O/c1-5-6(7,8)3-2-4-9-5/h5H,2-4H2,1H3
InChIKeyLWVOQDWZSDIBOI-UHFFFAOYSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-difluoro-2-methyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2,3,3-trimethyloxane
CID 142059544
[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol
CID 130490555
(5,5-difluoro-6-methyloxan-2-yl)methanol
CID 171531904
1,1-difluoro-2-methylcyclohexane
CID 15044189
3-(bromomethyl)-2,3-dimethyloxolane
CID 114536016
ethane;2-methyl-1,3-oxazinane
CID 142204498
3-(bromomethyl)-3-ethyl-2-methyloxolane
CID 114535961
[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol
CID 114535585
(2S)-4,4-difluoro-2-methyloxane
CID 125450788
3-cyclopentyl-2-methyloxolane-3-carboxylic acid
CID 114533867
2-methyl-3-(oxolan-2-ylmethyl)oxolane-3-carboxylic acid
CID 114533651
2,3,3-trifluorooxolane
CID 142163643

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methyloxane?
The IUPAC name of 3,3-difluoro-2-methyloxane (CID 146204349) is 3,3-difluoro-2-methyloxane.
What is the SMILES notation for 3,3-difluoro-2-methyloxane?
The canonical SMILES for 3,3-difluoro-2-methyloxane is CC1OCCCC1(F)F.
What is the InChIKey of 3,3-difluoro-2-methyloxane?
The InChIKey is LWVOQDWZSDIBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-5-6(7,8)3-2-4-9-5/h5H,2-4H2,1H3.
What are the key properties of 3,3-difluoro-2-methyloxane?
3,3-difluoro-2-methyloxane has a molecular weight of 136.14 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methyloxane is sourced from PubChem (CID 146204349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).