(3Z)-1,1,1-trifluoro-3-pyrrolidin-2-ylidenepropan-2-one

C7H8F3NO — CID 10678908

IUPAC(3Z)-1,1,1-trifluoro-3-pyrrolidin-2-ylidenepropan-2-one
SMILESO=C(/C=C1/CCCN1)C(F)(F)F
InChIInChI=1S/C7H8F3NO/c8-7(9,10)6(12)4-5-2-1-3-11-5/h4,11H,1-3H2/b5-4-
InChIKeySTHODIWLAZODHN-PLNGDYQASA-N
MW179.14 g/mol
LogP1.39
Rot. Bonds1

About (3Z)-1,1,1-trifluoro-3-pyrrolidin-2-ylidenepropan-2-one

(3Z)-1,1,1-trifluoro-3-pyrrolidin-2-ylidenepropan-2-one (PubChem CID 10678908) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is (3Z)-1,1,1-trifluoro-3-pyrrolidin-2-ylidenepropan-2-one.

Molecular Properties

Compound Name(3Z)-1,1,1-trifluoro-3-pyrrolidin-2-ylidenepropan-2-one
PubChem CID10678908
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name(3Z)-1,1,1-trifluoro-3-pyrrolidin-2-ylidenepropan-2-one
SMILESO=C(/C=C1/CCCN1)C(F)(F)F
InChIInChI=1S/C7H8F3NO/c8-7(9,10)6(12)4-5-2-1-3-11-5/h4,11H,1-3H2/b5-4-
InChIKeySTHODIWLAZODHN-PLNGDYQASA-N
XLogP1.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(z)-4-Ethylamino-1,1,1-trifluoro-3-penten-2-one
CID 129706900
(1Z)-3,3,4,4,4-pentafluoro-1-pyrrolidin-2-ylidenebutan-2-one
CID 10489564
(3Z)-1-fluoro-3-pyrrolidin-2-ylidenepropan-2-one
CID 10510962
(Z)-4-(butylamino)-1,1,1-trifluoro-5-methylhex-3-en-2-one
CID 10514037
(E)-4-(2,2-difluoroethylamino)pent-3-en-2-one
CID 169844573
(1Z)-1-pyrrolidin-2-ylidenepropan-2-one
CID 11815355
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
3-(2,2-Difluoroethylamino)cyclopent-2-en-1-one
CID 104788653
3-(4,4,4-Trifluorobutylamino)cyclopent-2-en-1-one
CID 104788655

Frequently Asked Questions

What is the IUPAC name of (3Z)-1,1,1-trifluoro-3-pyrrolidin-2-ylidenepropan-2-one?
The IUPAC name of (3Z)-1,1,1-trifluoro-3-pyrrolidin-2-ylidenepropan-2-one (CID 10678908) is (3Z)-1,1,1-trifluoro-3-pyrrolidin-2-ylidenepropan-2-one.
What is the SMILES notation for (3Z)-1,1,1-trifluoro-3-pyrrolidin-2-ylidenepropan-2-one?
The canonical SMILES for (3Z)-1,1,1-trifluoro-3-pyrrolidin-2-ylidenepropan-2-one is O=C(/C=C1/CCCN1)C(F)(F)F.
What is the InChIKey of (3Z)-1,1,1-trifluoro-3-pyrrolidin-2-ylidenepropan-2-one?
The InChIKey is STHODIWLAZODHN-PLNGDYQASA-N. The full InChI is InChI=1S/C7H8F3NO/c8-7(9,10)6(12)4-5-2-1-3-11-5/h4,11H,1-3H2/b5-4-.
What are the key properties of (3Z)-1,1,1-trifluoro-3-pyrrolidin-2-ylidenepropan-2-one?
(3Z)-1,1,1-trifluoro-3-pyrrolidin-2-ylidenepropan-2-one has a molecular weight of 179.14 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1,1,1-trifluoro-3-pyrrolidin-2-ylidenepropan-2-one is sourced from PubChem (CID 10678908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).