6,6-difluoro-3-methoxybicyclo[3.1.0]hexane

C7H10F2O — CID 118393733

IUPAC6,6-difluoro-3-methoxybicyclo[3.1.0]hexane
SMILESCOC1CC2C(C1)C2(F)F
InChIInChI=1S/C7H10F2O/c1-10-4-2-5-6(3-4)7(5,8)9/h4-6H,2-3H2,1H3
InChIKeyWGMAFVILQBDWIM-UHFFFAOYSA-N
MW148.15 g/mol
LogP1.68
Rot. Bonds1

About 6,6-difluoro-3-methoxybicyclo[3.1.0]hexane

6,6-difluoro-3-methoxybicyclo[3.1.0]hexane (PubChem CID 118393733) has the molecular formula C7H10F2O and a molecular weight of 148.15 g/mol. Its IUPAC name is 6,6-difluoro-3-methoxybicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6,6-difluoro-3-methoxybicyclo[3.1.0]hexane
PubChem CID118393733
Molecular FormulaC7H10F2O
Molecular Weight148.15 g/mol
Exact Mass148.07
IUPAC Name6,6-difluoro-3-methoxybicyclo[3.1.0]hexane
SMILESCOC1CC2C(C1)C2(F)F
InChIInChI=1S/C7H10F2O/c1-10-4-2-5-6(3-4)7(5,8)9/h4-6H,2-3H2,1H3
InChIKeyWGMAFVILQBDWIM-UHFFFAOYSA-N
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.15
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,3R,5S)-rel-6,6-difluorobicyclo[3.1.0]hexan-3-ol
CID 58501709
(1R,5R)-6,6-difluorobicyclo[3.1.0]hexan-3-ol
CID 67519511
(1S,5S)-6,6-difluorobicyclo[3.1.0]hexan-3-ol
CID 67519512
6,6-Difluorobicyclo[3.1.0]hexan-3-OL
CID 67519513
1-Ethyl-3-(trifluoromethoxy)cyclopentane
CID 89692297
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
(5S)-6,6-difluorobicyclo[3.1.0]hexan-3-ol
CID 144187584
(6,6-Difluoro-3-bicyclo[3.1.0]hexanyl) hypoiodite
CID 144187701
6,6-Difluoro-3-methoxybicyclo[3.1.0]hexane;ethane;propane
CID 144923281
1-Methyl-3-(trifluoromethoxy)cyclopentane
CID 162564153
1-(Difluoromethoxy)-3-methylcyclopentane
CID 168250662

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-3-methoxybicyclo[3.1.0]hexane?
The IUPAC name of 6,6-difluoro-3-methoxybicyclo[3.1.0]hexane (CID 118393733) is 6,6-difluoro-3-methoxybicyclo[3.1.0]hexane.
What is the SMILES notation for 6,6-difluoro-3-methoxybicyclo[3.1.0]hexane?
The canonical SMILES for 6,6-difluoro-3-methoxybicyclo[3.1.0]hexane is COC1CC2C(C1)C2(F)F.
What is the InChIKey of 6,6-difluoro-3-methoxybicyclo[3.1.0]hexane?
The InChIKey is WGMAFVILQBDWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O/c1-10-4-2-5-6(3-4)7(5,8)9/h4-6H,2-3H2,1H3.
What are the key properties of 6,6-difluoro-3-methoxybicyclo[3.1.0]hexane?
6,6-difluoro-3-methoxybicyclo[3.1.0]hexane has a molecular weight of 148.15 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 6,6-difluoro-3-methoxybicyclo[3.1.0]hexane is sourced from PubChem (CID 118393733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).