1,3,3,4,4-pentafluoro-2-propan-2-yloxycyclobutene

C7H7F5O — CID 19911061

IUPAC1,3,3,4,4-pentafluoro-2-propan-2-yloxycyclobutene
SMILESCC(C)OC1=C(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H7F5O/c1-3(2)13-5-4(8)6(9,10)7(5,11)12/h3H,1-2H3
InChIKeyBHKJCVDWIKPBAG-UHFFFAOYSA-N
MW202.12 g/mol
LogP2.88
Rot. Bonds2

About 1,3,3,4,4-pentafluoro-2-propan-2-yloxycyclobutene

1,3,3,4,4-pentafluoro-2-propan-2-yloxycyclobutene (PubChem CID 19911061) has the molecular formula C7H7F5O and a molecular weight of 202.12 g/mol. Its IUPAC name is 1,3,3,4,4-pentafluoro-2-propan-2-yloxycyclobutene.

Molecular Properties

Compound Name1,3,3,4,4-pentafluoro-2-propan-2-yloxycyclobutene
PubChem CID19911061
Molecular FormulaC7H7F5O
Molecular Weight202.12 g/mol
Exact Mass202.04
IUPAC Name1,3,3,4,4-pentafluoro-2-propan-2-yloxycyclobutene
SMILESCC(C)OC1=C(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H7F5O/c1-3(2)13-5-4(8)6(9,10)7(5,11)12/h3H,1-2H3
InChIKeyBHKJCVDWIKPBAG-UHFFFAOYSA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.12
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,3,3,4,4-pentafluoro-2-propan-2-yloxycyclobutene?
The IUPAC name of 1,3,3,4,4-pentafluoro-2-propan-2-yloxycyclobutene (CID 19911061) is 1,3,3,4,4-pentafluoro-2-propan-2-yloxycyclobutene.
What is the SMILES notation for 1,3,3,4,4-pentafluoro-2-propan-2-yloxycyclobutene?
The canonical SMILES for 1,3,3,4,4-pentafluoro-2-propan-2-yloxycyclobutene is CC(C)OC1=C(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,3,3,4,4-pentafluoro-2-propan-2-yloxycyclobutene?
The InChIKey is BHKJCVDWIKPBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5O/c1-3(2)13-5-4(8)6(9,10)7(5,11)12/h3H,1-2H3.
What are the key properties of 1,3,3,4,4-pentafluoro-2-propan-2-yloxycyclobutene?
1,3,3,4,4-pentafluoro-2-propan-2-yloxycyclobutene has a molecular weight of 202.12 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4-pentafluoro-2-propan-2-yloxycyclobutene is sourced from PubChem (CID 19911061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).