3-(difluoromethyl)-3-methyloxolane

C6H10F2O — CID 164918548

IUPAC3-(difluoromethyl)-3-methyloxolane
SMILESCC1(C(F)F)CCOC1
InChIInChI=1S/C6H10F2O/c1-6(5(7)8)2-3-9-4-6/h5H,2-4H2,1H3
InChIKeyGQRVCYQLBUSYFV-UHFFFAOYSA-N
MW136.14 g/mol
LogP1.68
Rot. Bonds1

About 3-(difluoromethyl)-3-methyloxolane

3-(difluoromethyl)-3-methyloxolane (PubChem CID 164918548) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-3-methyloxolane.

Molecular Properties

Compound Name3-(difluoromethyl)-3-methyloxolane
PubChem CID164918548
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name3-(difluoromethyl)-3-methyloxolane
SMILESCC1(C(F)F)CCOC1
InChIInChI=1S/C6H10F2O/c1-6(5(7)8)2-3-9-4-6/h5H,2-4H2,1H3
InChIKeyGQRVCYQLBUSYFV-UHFFFAOYSA-N
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(difluoromethyl)-4-methyloxane
CID 67569542
1-(difluoromethyl)-1-methylcyclopentane
CID 134531916
3-(difluoromethyl)-N-ethyloxolan-3-amine
CID 80604448
3-(difluoromethoxy)-3-propan-2-yloxolane
CID 170577643
2-[3-(difluoromethyl)oxolan-3-yl]ethanamine
CID 115013006
(3R)-3,4,4-trimethyloxan-3-ol
CID 167089912
(3-methyloxolan-3-yl)methanethiol
CID 155973621
(3S)-3-propan-2-yloxolan-3-ol
CID 95379239
(3R)-3-(trifluoromethyl)oxolan-3-amine;hydrochloride
CID 163321402
[4-(difluoromethyl)oxan-4-yl]methanamine
CID 130738015
4-(difluoromethyl)-N-methyloxepan-4-amine
CID 80605984
3-propan-2-yloxolane-3-carboxamide
CID 170386865

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-3-methyloxolane?
The IUPAC name of 3-(difluoromethyl)-3-methyloxolane (CID 164918548) is 3-(difluoromethyl)-3-methyloxolane.
What is the SMILES notation for 3-(difluoromethyl)-3-methyloxolane?
The canonical SMILES for 3-(difluoromethyl)-3-methyloxolane is CC1(C(F)F)CCOC1.
What is the InChIKey of 3-(difluoromethyl)-3-methyloxolane?
The InChIKey is GQRVCYQLBUSYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-6(5(7)8)2-3-9-4-6/h5H,2-4H2,1H3.
What are the key properties of 3-(difluoromethyl)-3-methyloxolane?
3-(difluoromethyl)-3-methyloxolane has a molecular weight of 136.14 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-3-methyloxolane is sourced from PubChem (CID 164918548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).