3-(1,1,1-trifluoropropan-2-ylamino)cyclopent-2-en-1-one

C8H10F3NO — CID 127006741

IUPAC3-(1,1,1-trifluoropropan-2-ylamino)cyclopent-2-en-1-one
SMILESCC(NC1=CC(=O)CC1)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-5(8(9,10)11)12-6-2-3-7(13)4-6/h4-5,12H,2-3H2,1H3
InChIKeyRBIIJNXOPBFMQA-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.77
Rot. Bonds2

About 3-(1,1,1-trifluoropropan-2-ylamino)cyclopent-2-en-1-one

3-(1,1,1-trifluoropropan-2-ylamino)cyclopent-2-en-1-one (PubChem CID 127006741) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 3-(1,1,1-trifluoropropan-2-ylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(1,1,1-trifluoropropan-2-ylamino)cyclopent-2-en-1-one
PubChem CID127006741
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name3-(1,1,1-trifluoropropan-2-ylamino)cyclopent-2-en-1-one
SMILESCC(NC1=CC(=O)CC1)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-5(8(9,10)11)12-6-2-3-7(13)4-6/h4-5,12H,2-3H2,1H3
InChIKeyRBIIJNXOPBFMQA-UHFFFAOYSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Cyclohexylamino)-1,1,1-trifluoro-3-penten-2-one
CID 5792213
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
7-Methyl-1,2,3,4-tetrahydroazepin-5-one
CID 13774184
C9H12F5NO
CID 2759483
1,1,1-Trifluoro-4-(propan-2-ylamino)pent-3-en-2-one
CID 2760716
4-(Cyclohexylamino)-1,1,1-trifluoropent-3-en-2-one
CID 3319789
(Z)-1,1,1,2,2-pentafluoro-5-(propan-2-ylamino)hex-4-en-3-one
CID 5706489
1,1,1-Trifluoro-4-isopropylaminopent-3-en-2-one
CID 5706564
(E)-1,1,1,2,2-pentafluoro-5-(propan-2-ylamino)hex-4-en-3-one
CID 6387547
1,1,1-Trifluoro-4-(isopropylamino)pent-3-EN-2-one
CID 6387552
(Z)-1,1,2,2-tetrafluoro-5-(methylamino)non-4-en-3-one
CID 12505911

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1-trifluoropropan-2-ylamino)cyclopent-2-en-1-one?
The IUPAC name of 3-(1,1,1-trifluoropropan-2-ylamino)cyclopent-2-en-1-one (CID 127006741) is 3-(1,1,1-trifluoropropan-2-ylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(1,1,1-trifluoropropan-2-ylamino)cyclopent-2-en-1-one?
The canonical SMILES for 3-(1,1,1-trifluoropropan-2-ylamino)cyclopent-2-en-1-one is CC(NC1=CC(=O)CC1)C(F)(F)F.
What is the InChIKey of 3-(1,1,1-trifluoropropan-2-ylamino)cyclopent-2-en-1-one?
The InChIKey is RBIIJNXOPBFMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-5(8(9,10)11)12-6-2-3-7(13)4-6/h4-5,12H,2-3H2,1H3.
What are the key properties of 3-(1,1,1-trifluoropropan-2-ylamino)cyclopent-2-en-1-one?
3-(1,1,1-trifluoropropan-2-ylamino)cyclopent-2-en-1-one has a molecular weight of 193.17 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1-trifluoropropan-2-ylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 127006741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).