1,1,2,3,4-pentafluoro-2-methoxy-3-methylcyclobutane

C6H7F5O — CID 174327605

IUPAC1,1,2,3,4-pentafluoro-2-methoxy-3-methylcyclobutane
SMILESCOC1(F)C(C)(F)C(F)C1(F)F
InChIInChI=1S/C6H7F5O/c1-4(8)3(7)5(9,10)6(4,11)12-2/h3H,1-2H3
InChIKeyZAVFXLVSAIWTOG-UHFFFAOYSA-N
MW190.11 g/mol
LogP2.01
Rot. Bonds1

About 1,1,2,3,4-pentafluoro-2-methoxy-3-methylcyclobutane

1,1,2,3,4-pentafluoro-2-methoxy-3-methylcyclobutane (PubChem CID 174327605) has the molecular formula C6H7F5O and a molecular weight of 190.11 g/mol. Its IUPAC name is 1,1,2,3,4-pentafluoro-2-methoxy-3-methylcyclobutane.

Molecular Properties

Compound Name1,1,2,3,4-pentafluoro-2-methoxy-3-methylcyclobutane
PubChem CID174327605
Molecular FormulaC6H7F5O
Molecular Weight190.11 g/mol
Exact Mass190.04
IUPAC Name1,1,2,3,4-pentafluoro-2-methoxy-3-methylcyclobutane
SMILESCOC1(F)C(C)(F)C(F)C1(F)F
InChIInChI=1S/C6H7F5O/c1-4(8)3(7)5(9,10)6(4,11)12-2/h3H,1-2H3
InChIKeyZAVFXLVSAIWTOG-UHFFFAOYSA-N
XLogP2.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.11
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4-pentafluoro-2-methoxy-3-methylcyclobutane?
The IUPAC name of 1,1,2,3,4-pentafluoro-2-methoxy-3-methylcyclobutane (CID 174327605) is 1,1,2,3,4-pentafluoro-2-methoxy-3-methylcyclobutane.
What is the SMILES notation for 1,1,2,3,4-pentafluoro-2-methoxy-3-methylcyclobutane?
The canonical SMILES for 1,1,2,3,4-pentafluoro-2-methoxy-3-methylcyclobutane is COC1(F)C(C)(F)C(F)C1(F)F.
What is the InChIKey of 1,1,2,3,4-pentafluoro-2-methoxy-3-methylcyclobutane?
The InChIKey is ZAVFXLVSAIWTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5O/c1-4(8)3(7)5(9,10)6(4,11)12-2/h3H,1-2H3.
What are the key properties of 1,1,2,3,4-pentafluoro-2-methoxy-3-methylcyclobutane?
1,1,2,3,4-pentafluoro-2-methoxy-3-methylcyclobutane has a molecular weight of 190.11 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4-pentafluoro-2-methoxy-3-methylcyclobutane is sourced from PubChem (CID 174327605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).