1,2,3,5-tetrafluoro-4-(methoxymethyl)cyclopenta-1,3-diene

C7H6F4O — CID 144833499

IUPAC1,2,3,5-tetrafluoro-4-(methoxymethyl)cyclopenta-1,3-diene
SMILESCOCC1=C(F)C(F)=C(F)C1F
InChIInChI=1S/C7H6F4O/c1-12-2-3-4(8)6(10)7(11)5(3)9/h4H,2H2,1H3
InChIKeyVQJSXJOKHFKDEA-UHFFFAOYSA-N
MW182.12 g/mol
LogP2.36
Rot. Bonds2

About 1,2,3,5-tetrafluoro-4-(methoxymethyl)cyclopenta-1,3-diene

1,2,3,5-tetrafluoro-4-(methoxymethyl)cyclopenta-1,3-diene (PubChem CID 144833499) has the molecular formula C7H6F4O and a molecular weight of 182.12 g/mol. Its IUPAC name is 1,2,3,5-tetrafluoro-4-(methoxymethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,5-tetrafluoro-4-(methoxymethyl)cyclopenta-1,3-diene
PubChem CID144833499
Molecular FormulaC7H6F4O
Molecular Weight182.12 g/mol
Exact Mass182.04
IUPAC Name1,2,3,5-tetrafluoro-4-(methoxymethyl)cyclopenta-1,3-diene
SMILESCOCC1=C(F)C(F)=C(F)C1F
InChIInChI=1S/C7H6F4O/c1-12-2-3-4(8)6(10)7(11)5(3)9/h4H,2H2,1H3
InChIKeyVQJSXJOKHFKDEA-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.12
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrafluoro-4-(methoxymethyl)cyclopenta-1,3-diene?
The IUPAC name of 1,2,3,5-tetrafluoro-4-(methoxymethyl)cyclopenta-1,3-diene (CID 144833499) is 1,2,3,5-tetrafluoro-4-(methoxymethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,5-tetrafluoro-4-(methoxymethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,5-tetrafluoro-4-(methoxymethyl)cyclopenta-1,3-diene is COCC1=C(F)C(F)=C(F)C1F.
What is the InChIKey of 1,2,3,5-tetrafluoro-4-(methoxymethyl)cyclopenta-1,3-diene?
The InChIKey is VQJSXJOKHFKDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4O/c1-12-2-3-4(8)6(10)7(11)5(3)9/h4H,2H2,1H3.
What are the key properties of 1,2,3,5-tetrafluoro-4-(methoxymethyl)cyclopenta-1,3-diene?
1,2,3,5-tetrafluoro-4-(methoxymethyl)cyclopenta-1,3-diene has a molecular weight of 182.12 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrafluoro-4-(methoxymethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 144833499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).