(1Z)-3,3,4,4,4-pentafluoro-1-pyrrolidin-2-ylidenebutan-2-one

C8H8F5NO — CID 10489564

IUPAC(1Z)-3,3,4,4,4-pentafluoro-1-pyrrolidin-2-ylidenebutan-2-one
SMILESO=C(/C=C1/CCCN1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F5NO/c9-7(10,8(11,12)13)6(15)4-5-2-1-3-14-5/h4,14H,1-3H2/b5-4-
InChIKeyZXSWFRZTNLKYHA-PLNGDYQASA-N
MW229.15 g/mol
LogP2.02
Rot. Bonds2

About (1Z)-3,3,4,4,4-pentafluoro-1-pyrrolidin-2-ylidenebutan-2-one

(1Z)-3,3,4,4,4-pentafluoro-1-pyrrolidin-2-ylidenebutan-2-one (PubChem CID 10489564) has the molecular formula C8H8F5NO and a molecular weight of 229.15 g/mol. Its IUPAC name is (1Z)-3,3,4,4,4-pentafluoro-1-pyrrolidin-2-ylidenebutan-2-one.

Molecular Properties

Compound Name(1Z)-3,3,4,4,4-pentafluoro-1-pyrrolidin-2-ylidenebutan-2-one
PubChem CID10489564
Molecular FormulaC8H8F5NO
Molecular Weight229.15 g/mol
Exact Mass229.05
IUPAC Name(1Z)-3,3,4,4,4-pentafluoro-1-pyrrolidin-2-ylidenebutan-2-one
SMILESO=C(/C=C1/CCCN1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F5NO/c9-7(10,8(11,12)13)6(15)4-5-2-1-3-14-5/h4,14H,1-3H2/b5-4-
InChIKeyZXSWFRZTNLKYHA-PLNGDYQASA-N
XLogP2.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(z)-1,1,2,2-Tetrafluoro-5-(2-propynylamino)-4-hexen-3-one
CID 129767078
(3Z)-1-fluoro-3-pyrrolidin-2-ylidenepropan-2-one
CID 10510962
(3Z)-1,1,1-trifluoro-3-pyrrolidin-2-ylidenepropan-2-one
CID 10678908
(1Z)-1-pyrrolidin-2-ylidenepropan-2-one
CID 11815355
C9H12F5NO
CID 2759483
(Z)-1,1,1,2,2-pentafluoro-5-(propan-2-ylamino)hex-4-en-3-one
CID 5706489
(E)-1,1,1,2,2-pentafluoro-5-(propan-2-ylamino)hex-4-en-3-one
CID 6387547
(Z)-1,1,2,2-tetrafluoro-5-(methylamino)non-4-en-3-one
CID 12505911
4-(Butylamino)-1,1,1,5,5,5-hexafluoropent-3-en-2-one
CID 100988573
(E)-4-(butylamino)-1,1,1,5,5,5-hexafluoropent-3-en-2-one
CID 101404498
3-(2,2,2-Trifluoroethylamino)cyclopent-2-en-1-one
CID 104788202
3-(3,3,3-Trifluoropropylamino)cyclopent-2-en-1-one
CID 104788497

Frequently Asked Questions

What is the IUPAC name of (1Z)-3,3,4,4,4-pentafluoro-1-pyrrolidin-2-ylidenebutan-2-one?
The IUPAC name of (1Z)-3,3,4,4,4-pentafluoro-1-pyrrolidin-2-ylidenebutan-2-one (CID 10489564) is (1Z)-3,3,4,4,4-pentafluoro-1-pyrrolidin-2-ylidenebutan-2-one.
What is the SMILES notation for (1Z)-3,3,4,4,4-pentafluoro-1-pyrrolidin-2-ylidenebutan-2-one?
The canonical SMILES for (1Z)-3,3,4,4,4-pentafluoro-1-pyrrolidin-2-ylidenebutan-2-one is O=C(/C=C1/CCCN1)C(F)(F)C(F)(F)F.
What is the InChIKey of (1Z)-3,3,4,4,4-pentafluoro-1-pyrrolidin-2-ylidenebutan-2-one?
The InChIKey is ZXSWFRZTNLKYHA-PLNGDYQASA-N. The full InChI is InChI=1S/C8H8F5NO/c9-7(10,8(11,12)13)6(15)4-5-2-1-3-14-5/h4,14H,1-3H2/b5-4-.
What are the key properties of (1Z)-3,3,4,4,4-pentafluoro-1-pyrrolidin-2-ylidenebutan-2-one?
(1Z)-3,3,4,4,4-pentafluoro-1-pyrrolidin-2-ylidenebutan-2-one has a molecular weight of 229.15 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3,3,4,4,4-pentafluoro-1-pyrrolidin-2-ylidenebutan-2-one is sourced from PubChem (CID 10489564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).