6,6-difluoro-3-methoxybicyclo[3.1.0]hexane;ethane;propane

C12H24F2O — CID 144923281

IUPAC6,6-difluoro-3-methoxybicyclo[3.1.0]hexane;ethane;propane
SMILESCC.CCC.COC1CC2C(C1)C2(F)F
InChIInChI=1S/C7H10F2O.C3H8.C2H6/c1-10-4-2-5-6(3-4)7(5,8)9;1-3-2;1-2/h4-6H,2-3H2,1H3;3H2,1-2H3;1-2H3
InChIKeyYGSZQEXSWZMMNL-UHFFFAOYSA-N
MW222.32 g/mol
LogP4.12
Rot. Bonds1

About 6,6-difluoro-3-methoxybicyclo[3.1.0]hexane;ethane;propane

6,6-difluoro-3-methoxybicyclo[3.1.0]hexane;ethane;propane (PubChem CID 144923281) has the molecular formula C12H24F2O and a molecular weight of 222.32 g/mol. Its IUPAC name is 6,6-difluoro-3-methoxybicyclo[3.1.0]hexane;ethane;propane.

Molecular Properties

Compound Name6,6-difluoro-3-methoxybicyclo[3.1.0]hexane;ethane;propane
PubChem CID144923281
Molecular FormulaC12H24F2O
Molecular Weight222.32 g/mol
Exact Mass222.18
IUPAC Name6,6-difluoro-3-methoxybicyclo[3.1.0]hexane;ethane;propane
SMILESCC.CCC.COC1CC2C(C1)C2(F)F
InChIInChI=1S/C7H10F2O.C3H8.C2H6/c1-10-4-2-5-6(3-4)7(5,8)9;1-3-2;1-2/h4-6H,2-3H2,1H3;3H2,1-2H3;1-2H3
InChIKeyYGSZQEXSWZMMNL-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethyl-3-(trifluoromethoxy)cyclopentane
CID 89692297
6,6-Difluoro-3-methoxybicyclo[3.1.0]hexane
CID 118393733
1,1-Difluoro-3-(propan-2-yloxymethyl)cyclopentane
CID 123365421
1-(2,2-Difluoroethoxy)-3-ethylcyclopentane
CID 123719280
6,6-Difluoro-3-[(2-methylpropan-2-yl)oxy]bicyclo[3.1.0]hexane
CID 124169519
3-Ethoxy-6,6-difluorobicyclo[3.1.0]hexane
CID 124174525
(6,6-Difluoro-3-bicyclo[3.1.0]hexanyl) hypoiodite
CID 144187701
Ethane;1-ethyl-3-(trifluoromethoxy)cyclopentane
CID 144339154
(3R)-1-(difluoromethoxy)-3-ethylcyclopentane
CID 169182345
3-Butan-2-yloxy-6,6-difluorobicyclo[3.1.0]hexane
CID 170720404
1,1-Difluoro-2-(propan-2-yloxymethyl)cyclopentane
CID 170720436
Ethane;1-methyl-3-(trifluoromethoxy)cyclopentane
CID 178108421

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-3-methoxybicyclo[3.1.0]hexane;ethane;propane?
The IUPAC name of 6,6-difluoro-3-methoxybicyclo[3.1.0]hexane;ethane;propane (CID 144923281) is 6,6-difluoro-3-methoxybicyclo[3.1.0]hexane;ethane;propane.
What is the SMILES notation for 6,6-difluoro-3-methoxybicyclo[3.1.0]hexane;ethane;propane?
The canonical SMILES for 6,6-difluoro-3-methoxybicyclo[3.1.0]hexane;ethane;propane is CC.CCC.COC1CC2C(C1)C2(F)F.
What is the InChIKey of 6,6-difluoro-3-methoxybicyclo[3.1.0]hexane;ethane;propane?
The InChIKey is YGSZQEXSWZMMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O.C3H8.C2H6/c1-10-4-2-5-6(3-4)7(5,8)9;1-3-2;1-2/h4-6H,2-3H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of 6,6-difluoro-3-methoxybicyclo[3.1.0]hexane;ethane;propane?
6,6-difluoro-3-methoxybicyclo[3.1.0]hexane;ethane;propane has a molecular weight of 222.32 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-3-methoxybicyclo[3.1.0]hexane;ethane;propane is sourced from PubChem (CID 144923281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).