3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one

C10H14F3NO — CID 104787844

IUPAC3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
SMILESCC(C)N(CC(F)(F)F)C1=CC(=O)CC1
InChIInChI=1S/C10H14F3NO/c1-7(2)14(6-10(11,12)13)8-3-4-9(15)5-8/h5,7H,3-4,6H2,1-2H3
InChIKeyPGDQVPPAFLZMDK-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.51
Rot. Bonds3

About 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one

3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one (PubChem CID 104787844) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
PubChem CID104787844
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
SMILESCC(C)N(CC(F)(F)F)C1=CC(=O)CC1
InChIInChI=1S/C10H14F3NO/c1-7(2)14(6-10(11,12)13)8-3-4-9(15)5-8/h5,7H,3-4,6H2,1-2H3
InChIKeyPGDQVPPAFLZMDK-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Pyrrolidin-1-yl)cyclopent-2-en-1-one
CID 273498
3-Dimethyl-aminocyclopent-2-enone
CID 57659856
(E)-1,1,1-trifluoro-4-[propyl(prop-2-ynyl)amino]oct-3-en-2-one
CID 56590318
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-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]cyclopent-2-en-1-one
CID 104787890
3-[Methyl(3,3,3-trifluoropropyl)amino]cyclopent-2-en-1-one
CID 104787967
3-[3-(Trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one
CID 104787968
3-[4-(Trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one
CID 104787969
3-(2,2,2-Trifluoroethylamino)cyclopent-2-en-1-one
CID 104788202

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one (CID 104787844) is 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one is CC(C)N(CC(F)(F)F)C1=CC(=O)CC1.
What is the InChIKey of 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one?
The InChIKey is PGDQVPPAFLZMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-7(2)14(6-10(11,12)13)8-3-4-9(15)5-8/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one?
3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one has a molecular weight of 221.22 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104787844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).