3,3,4,4-tetrafluorocyclopentan-1-one

C5H4F4O — CID 89251149

IUPAC3,3,4,4-tetrafluorocyclopentan-1-one
SMILESO=C1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C5H4F4O/c6-4(7)1-3(10)2-5(4,8)9/h1-2H2
InChIKeyRSNZMGOOCRDHKG-UHFFFAOYSA-N
MW156.08 g/mol
LogP1.62
Rot. Bonds

About 3,3,4,4-tetrafluorocyclopentan-1-one

3,3,4,4-tetrafluorocyclopentan-1-one (PubChem CID 89251149) has the molecular formula C5H4F4O and a molecular weight of 156.08 g/mol. Its IUPAC name is 3,3,4,4-tetrafluorocyclopentan-1-one.

Molecular Properties

Compound Name3,3,4,4-tetrafluorocyclopentan-1-one
PubChem CID89251149
Molecular FormulaC5H4F4O
Molecular Weight156.08 g/mol
Exact Mass156.02
IUPAC Name3,3,4,4-tetrafluorocyclopentan-1-one
SMILESO=C1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C5H4F4O/c6-4(7)1-3(10)2-5(4,8)9/h1-2H2
InChIKeyRSNZMGOOCRDHKG-UHFFFAOYSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.08
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluorocyclobutan-1-one
CID 91524020
3,3-dihydroxycyclobutan-1-one
CID 151007569
3,3-diaminocyclobutan-1-one
CID 147618853
tricyclo[3.3.2.01,5]decane-3,7-dione
CID 130831623
4,4-difluoro-3,3-dimethylcyclohexan-1-one
CID 156528016
7-oxaspiro[3.5]nonan-2-one
CID 67451909
ethane;2,2,3,3,4,4-hexafluorocyclopentan-1-one
CID 164528784
1,5-dimethyl-6-oxabicyclo[3.1.0]hexan-3-one
CID 101489158
spiro[3.5]nonane-2,7-dione
CID 130028978
4-ethylidene-1,1,2,2-tetrafluorocyclopentane
CID 146987634
cyclopropanone;ethane
CID 90860291
2,2,3,3-tetrafluorocyclopropan-1-one
CID 175052799

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluorocyclopentan-1-one?
The IUPAC name of 3,3,4,4-tetrafluorocyclopentan-1-one (CID 89251149) is 3,3,4,4-tetrafluorocyclopentan-1-one.
What is the SMILES notation for 3,3,4,4-tetrafluorocyclopentan-1-one?
The canonical SMILES for 3,3,4,4-tetrafluorocyclopentan-1-one is O=C1CC(F)(F)C(F)(F)C1.
What is the InChIKey of 3,3,4,4-tetrafluorocyclopentan-1-one?
The InChIKey is RSNZMGOOCRDHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4O/c6-4(7)1-3(10)2-5(4,8)9/h1-2H2.
What are the key properties of 3,3,4,4-tetrafluorocyclopentan-1-one?
3,3,4,4-tetrafluorocyclopentan-1-one has a molecular weight of 156.08 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluorocyclopentan-1-one is sourced from PubChem (CID 89251149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).