3-butan-2-yloxy-6,6-difluorobicyclo[3.1.0]hexane

C10H16F2O — CID 170720404

IUPAC3-butan-2-yloxy-6,6-difluorobicyclo[3.1.0]hexane
SMILESCCC(C)OC1CC2C(C1)C2(F)F
InChIInChI=1S/C10H16F2O/c1-3-6(2)13-7-4-8-9(5-7)10(8,11)12/h6-9H,3-5H2,1-2H3
InChIKeyBWFNLRDFSHEQFB-UHFFFAOYSA-N
MW190.23 g/mol
LogP2.85
Rot. Bonds3

About 3-butan-2-yloxy-6,6-difluorobicyclo[3.1.0]hexane

3-butan-2-yloxy-6,6-difluorobicyclo[3.1.0]hexane (PubChem CID 170720404) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is 3-butan-2-yloxy-6,6-difluorobicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-butan-2-yloxy-6,6-difluorobicyclo[3.1.0]hexane
PubChem CID170720404
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name3-butan-2-yloxy-6,6-difluorobicyclo[3.1.0]hexane
SMILESCCC(C)OC1CC2C(C1)C2(F)F
InChIInChI=1S/C10H16F2O/c1-3-6(2)13-7-4-8-9(5-7)10(8,11)12/h6-9H,3-5H2,1-2H3
InChIKeyBWFNLRDFSHEQFB-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-6,6-difluorobicyclo[3.1.0]hexane?
The IUPAC name of 3-butan-2-yloxy-6,6-difluorobicyclo[3.1.0]hexane (CID 170720404) is 3-butan-2-yloxy-6,6-difluorobicyclo[3.1.0]hexane.
What is the SMILES notation for 3-butan-2-yloxy-6,6-difluorobicyclo[3.1.0]hexane?
The canonical SMILES for 3-butan-2-yloxy-6,6-difluorobicyclo[3.1.0]hexane is CCC(C)OC1CC2C(C1)C2(F)F.
What is the InChIKey of 3-butan-2-yloxy-6,6-difluorobicyclo[3.1.0]hexane?
The InChIKey is BWFNLRDFSHEQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O/c1-3-6(2)13-7-4-8-9(5-7)10(8,11)12/h6-9H,3-5H2,1-2H3.
What are the key properties of 3-butan-2-yloxy-6,6-difluorobicyclo[3.1.0]hexane?
3-butan-2-yloxy-6,6-difluorobicyclo[3.1.0]hexane has a molecular weight of 190.23 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-6,6-difluorobicyclo[3.1.0]hexane is sourced from PubChem (CID 170720404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).