methyl 2-(2,2,3,3-tetrafluorocyclobutyl)cyclopropane-1-carboxylate

C9H10F4O2 — CID 548013

IUPACmethyl 2-(2,2,3,3-tetrafluorocyclobutyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1C1CC(F)(F)C1(F)F
InChIInChI=1S/C9H10F4O2/c1-15-7(14)5-2-4(5)6-3-8(10,11)9(6,12)13/h4-6H,2-3H2,1H3
InChIKeyFZBZWWBBVGQJGO-UHFFFAOYSA-N
MW226.17 g/mol
LogP2.09
Rot. Bonds2

About methyl 2-(2,2,3,3-tetrafluorocyclobutyl)cyclopropane-1-carboxylate

methyl 2-(2,2,3,3-tetrafluorocyclobutyl)cyclopropane-1-carboxylate (PubChem CID 548013) has the molecular formula C9H10F4O2 and a molecular weight of 226.17 g/mol. Its IUPAC name is methyl 2-(2,2,3,3-tetrafluorocyclobutyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,2,3,3-tetrafluorocyclobutyl)cyclopropane-1-carboxylate
PubChem CID548013
Molecular FormulaC9H10F4O2
Molecular Weight226.17 g/mol
Exact Mass226.06
IUPAC Namemethyl 2-(2,2,3,3-tetrafluorocyclobutyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1C1CC(F)(F)C1(F)F
InChIInChI=1S/C9H10F4O2/c1-15-7(14)5-2-4(5)6-3-8(10,11)9(6,12)13/h4-6H,2-3H2,1H3
InChIKeyFZBZWWBBVGQJGO-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.17
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2,3,3-tetrafluorocyclobutyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-(2,2,3,3-tetrafluorocyclobutyl)cyclopropane-1-carboxylate (CID 548013) is methyl 2-(2,2,3,3-tetrafluorocyclobutyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-(2,2,3,3-tetrafluorocyclobutyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-(2,2,3,3-tetrafluorocyclobutyl)cyclopropane-1-carboxylate is COC(=O)C1CC1C1CC(F)(F)C1(F)F.
What is the InChIKey of methyl 2-(2,2,3,3-tetrafluorocyclobutyl)cyclopropane-1-carboxylate?
The InChIKey is FZBZWWBBVGQJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4O2/c1-15-7(14)5-2-4(5)6-3-8(10,11)9(6,12)13/h4-6H,2-3H2,1H3.
What are the key properties of methyl 2-(2,2,3,3-tetrafluorocyclobutyl)cyclopropane-1-carboxylate?
methyl 2-(2,2,3,3-tetrafluorocyclobutyl)cyclopropane-1-carboxylate has a molecular weight of 226.17 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2,3,3-tetrafluorocyclobutyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 548013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).