4-(1,2,3,3-tetrafluorocyclobutyl)but-3-en-2-one

C8H8F4O — CID 59906071

IUPAC4-(1,2,3,3-tetrafluorocyclobutyl)but-3-en-2-one
SMILESCC(=O)C=CC1(F)CC(F)(F)C1F
InChIInChI=1S/C8H8F4O/c1-5(13)2-3-7(10)4-8(11,12)6(7)9/h2-3,6H,4H2,1H3
InChIKeyGAUYUKYQNYUGSY-UHFFFAOYSA-N
MW196.14 g/mol
LogP2.22
Rot. Bonds2

About 4-(1,2,3,3-tetrafluorocyclobutyl)but-3-en-2-one

4-(1,2,3,3-tetrafluorocyclobutyl)but-3-en-2-one (PubChem CID 59906071) has the molecular formula C8H8F4O and a molecular weight of 196.14 g/mol. Its IUPAC name is 4-(1,2,3,3-tetrafluorocyclobutyl)but-3-en-2-one.

Molecular Properties

Compound Name4-(1,2,3,3-tetrafluorocyclobutyl)but-3-en-2-one
PubChem CID59906071
Molecular FormulaC8H8F4O
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Name4-(1,2,3,3-tetrafluorocyclobutyl)but-3-en-2-one
SMILESCC(=O)C=CC1(F)CC(F)(F)C1F
InChIInChI=1S/C8H8F4O/c1-5(13)2-3-7(10)4-8(11,12)6(7)9/h2-3,6H,4H2,1H3
InChIKeyGAUYUKYQNYUGSY-UHFFFAOYSA-N
XLogP2.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,3-tetrafluorocyclobutyl)but-3-en-2-one?
The IUPAC name of 4-(1,2,3,3-tetrafluorocyclobutyl)but-3-en-2-one (CID 59906071) is 4-(1,2,3,3-tetrafluorocyclobutyl)but-3-en-2-one.
What is the SMILES notation for 4-(1,2,3,3-tetrafluorocyclobutyl)but-3-en-2-one?
The canonical SMILES for 4-(1,2,3,3-tetrafluorocyclobutyl)but-3-en-2-one is CC(=O)C=CC1(F)CC(F)(F)C1F.
What is the InChIKey of 4-(1,2,3,3-tetrafluorocyclobutyl)but-3-en-2-one?
The InChIKey is GAUYUKYQNYUGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4O/c1-5(13)2-3-7(10)4-8(11,12)6(7)9/h2-3,6H,4H2,1H3.
What are the key properties of 4-(1,2,3,3-tetrafluorocyclobutyl)but-3-en-2-one?
4-(1,2,3,3-tetrafluorocyclobutyl)but-3-en-2-one has a molecular weight of 196.14 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,3-tetrafluorocyclobutyl)but-3-en-2-one is sourced from PubChem (CID 59906071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).