1,1-difluoro-3-methoxy-3-methylcyclobutane

C6H10F2O — CID 164597904

IUPAC1,1-difluoro-3-methoxy-3-methylcyclobutane
SMILESCOC1(C)CC(F)(F)C1
InChIInChI=1S/C6H10F2O/c1-5(9-2)3-6(7,8)4-5/h3-4H2,1-2H3
InChIKeyRNXDNLXTKDYCIK-UHFFFAOYSA-N
MW136.14 g/mol
LogP1.82
Rot. Bonds1

About 1,1-difluoro-3-methoxy-3-methylcyclobutane

1,1-difluoro-3-methoxy-3-methylcyclobutane (PubChem CID 164597904) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 1,1-difluoro-3-methoxy-3-methylcyclobutane.

Molecular Properties

Compound Name1,1-difluoro-3-methoxy-3-methylcyclobutane
PubChem CID164597904
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name1,1-difluoro-3-methoxy-3-methylcyclobutane
SMILESCOC1(C)CC(F)(F)C1
InChIInChI=1S/C6H10F2O/c1-5(9-2)3-6(7,8)4-5/h3-4H2,1-2H3
InChIKeyRNXDNLXTKDYCIK-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-methoxy-3-methylcyclobutane?
The IUPAC name of 1,1-difluoro-3-methoxy-3-methylcyclobutane (CID 164597904) is 1,1-difluoro-3-methoxy-3-methylcyclobutane.
What is the SMILES notation for 1,1-difluoro-3-methoxy-3-methylcyclobutane?
The canonical SMILES for 1,1-difluoro-3-methoxy-3-methylcyclobutane is COC1(C)CC(F)(F)C1.
What is the InChIKey of 1,1-difluoro-3-methoxy-3-methylcyclobutane?
The InChIKey is RNXDNLXTKDYCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-5(9-2)3-6(7,8)4-5/h3-4H2,1-2H3.
What are the key properties of 1,1-difluoro-3-methoxy-3-methylcyclobutane?
1,1-difluoro-3-methoxy-3-methylcyclobutane has a molecular weight of 136.14 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-methoxy-3-methylcyclobutane is sourced from PubChem (CID 164597904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).