2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetic acid

C9H12F4O3 — CID 103272553

IUPAC2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetic acid
SMILESO=C(O)CC1(OCC(F)(F)C(F)F)CCC1
InChIInChI=1S/C9H12F4O3/c10-7(11)9(12,13)5-16-8(2-1-3-8)4-6(14)15/h7H,1-5H2,(H,14,15)
InChIKeyPIFMYVMQDHDUCY-UHFFFAOYSA-N
MW244.18 g/mol
LogP2.30
Rot. Bonds6

About 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetic acid

2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetic acid (PubChem CID 103272553) has the molecular formula C9H12F4O3 and a molecular weight of 244.18 g/mol. Its IUPAC name is 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetic acid
PubChem CID103272553
Molecular FormulaC9H12F4O3
Molecular Weight244.18 g/mol
Exact Mass244.07
IUPAC Name2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetic acid
SMILESO=C(O)CC1(OCC(F)(F)C(F)F)CCC1
InChIInChI=1S/C9H12F4O3/c10-7(11)9(12,13)5-16-8(2-1-3-8)4-6(14)15/h7H,1-5H2,(H,14,15)
InChIKeyPIFMYVMQDHDUCY-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 52.30
H-Bond Donors ≤ 51
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 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetic acid (CID 103272553) is 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetic acid is O=C(O)CC1(OCC(F)(F)C(F)F)CCC1.
What is the InChIKey of 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetic acid?
The InChIKey is PIFMYVMQDHDUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F4O3/c10-7(11)9(12,13)5-16-8(2-1-3-8)4-6(14)15/h7H,1-5H2,(H,14,15).
What are the key properties of 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetic acid?
2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetic acid has a molecular weight of 244.18 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,3,3-tetrafluoropropoxy)cyclobutyl]acetic acid is sourced from PubChem (CID 103272553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).