3-(difluoromethyl)-2-methyloxolane

C6H10F2O — CID 171762048

IUPAC3-(difluoromethyl)-2-methyloxolane
SMILESCC1OCCC1C(F)F
InChIInChI=1S/C6H10F2O/c1-4-5(6(7)8)2-3-9-4/h4-6H,2-3H2,1H3
InChIKeyMDTFCOWXVPDDPL-UHFFFAOYSA-N
MW136.14 g/mol
LogP1.68
Rot. Bonds1

About 3-(difluoromethyl)-2-methyloxolane

3-(difluoromethyl)-2-methyloxolane (PubChem CID 171762048) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-methyloxolane.

Molecular Properties

Compound Name3-(difluoromethyl)-2-methyloxolane
PubChem CID171762048
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name3-(difluoromethyl)-2-methyloxolane
SMILESCC1OCCC1C(F)F
InChIInChI=1S/C6H10F2O/c1-4-5(6(7)8)2-3-9-4/h4-6H,2-3H2,1H3
InChIKeyMDTFCOWXVPDDPL-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

(3R)-2,3-dimethyl-1,4-dioxane
CID 134576356
[2-methyl-1-(2-methyloxolan-3-yl)propyl]hydrazine
CID 105281679
[cyclopropyl-(2-methyloxolan-3-yl)methyl]hydrazine
CID 105314526
3-[chloro-(4-methylphenyl)methyl]-2-methyloxolane
CID 79762541
3-[chloro-(3,4-difluorophenyl)methyl]-2-methyloxolane
CID 79762893
(2R,3S)-3-chloro-2-methyloxolane
CID 13296748
(2S,3S)-2-methyl-3-pent-4-en-2-yloxolane
CID 144768064
(4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 79757879
3-ethyl-1-(2-methyloxolan-3-yl)pentan-1-amine
CID 105028412
2-cyclobutyl-1-(2-methyloxolan-3-yl)ethanamine
CID 115863835
[2-ethyl-1-(2-methyloxolan-3-yl)butyl]hydrazine
CID 105324024
(2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol
CID 79763149

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-methyloxolane?
The IUPAC name of 3-(difluoromethyl)-2-methyloxolane (CID 171762048) is 3-(difluoromethyl)-2-methyloxolane.
What is the SMILES notation for 3-(difluoromethyl)-2-methyloxolane?
The canonical SMILES for 3-(difluoromethyl)-2-methyloxolane is CC1OCCC1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-methyloxolane?
The InChIKey is MDTFCOWXVPDDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-4-5(6(7)8)2-3-9-4/h4-6H,2-3H2,1H3.
What are the key properties of 3-(difluoromethyl)-2-methyloxolane?
3-(difluoromethyl)-2-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)-2-methyloxolane is sourced from PubChem (CID 171762048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).