3-(3,3,3-trifluoropropylamino)cyclopent-2-en-1-one

C8H10F3NO — CID 104788497

IUPAC3-(3,3,3-trifluoropropylamino)cyclopent-2-en-1-one
SMILESO=C1C=C(NCCC(F)(F)F)CC1
InChIInChI=1S/C8H10F3NO/c9-8(10,11)3-4-12-6-1-2-7(13)5-6/h5,12H,1-4H2
InChIKeyIFQRSXPTQRESGU-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.78
Rot. Bonds3

About 3-(3,3,3-trifluoropropylamino)cyclopent-2-en-1-one

3-(3,3,3-trifluoropropylamino)cyclopent-2-en-1-one (PubChem CID 104788497) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropylamino)cyclopent-2-en-1-one
PubChem CID104788497
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name3-(3,3,3-trifluoropropylamino)cyclopent-2-en-1-one
SMILESO=C1C=C(NCCC(F)(F)F)CC1
InChIInChI=1S/C8H10F3NO/c9-8(10,11)3-4-12-6-1-2-7(13)5-6/h5,12H,1-4H2
InChIKeyIFQRSXPTQRESGU-UHFFFAOYSA-N
XLogP1.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-(5-methyl-2,3-dihydro-1H-pyrrol-4-yl)ethanone
CID 135077640
(1Z)-3,3,4,4,4-pentafluoro-1-pyrrolidin-2-ylidenebutan-2-one
CID 10489564
(3Z)-1,1,1-trifluoro-3-pyrrolidin-2-ylidenepropan-2-one
CID 10678908
4,4,7-trifluoro-2,3,8,9-tetrahydro-1H-1-benzazepin-5-one
CID 132174291
7-Methyl-1,2,3,4-tetrahydroazepin-5-one
CID 13774184
(Z)-1,1,2,2-tetrafluoro-5-(methylamino)non-4-en-3-one
CID 12505911
3-[Methyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787736
3-[Ethyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787838
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787842
3-[Propyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787843
3-[Propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787844
3-[Methyl(3,3,3-trifluoropropyl)amino]cyclopent-2-en-1-one
CID 104787967

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropylamino)cyclopent-2-en-1-one?
The IUPAC name of 3-(3,3,3-trifluoropropylamino)cyclopent-2-en-1-one (CID 104788497) is 3-(3,3,3-trifluoropropylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(3,3,3-trifluoropropylamino)cyclopent-2-en-1-one?
The canonical SMILES for 3-(3,3,3-trifluoropropylamino)cyclopent-2-en-1-one is O=C1C=C(NCCC(F)(F)F)CC1.
What is the InChIKey of 3-(3,3,3-trifluoropropylamino)cyclopent-2-en-1-one?
The InChIKey is IFQRSXPTQRESGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c9-8(10,11)3-4-12-6-1-2-7(13)5-6/h5,12H,1-4H2.
What are the key properties of 3-(3,3,3-trifluoropropylamino)cyclopent-2-en-1-one?
3-(3,3,3-trifluoropropylamino)cyclopent-2-en-1-one has a molecular weight of 193.17 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 104788497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).