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

C10H14F3NO — CID 104787843

IUPAC3-[propyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
SMILESCCCN(CC(F)(F)F)C1=CC(=O)CC1
InChIInChI=1S/C10H14F3NO/c1-2-5-14(7-10(11,12)13)8-3-4-9(15)6-8/h6H,2-5,7H2,1H3
InChIKeyGCAXNSFOXYAEJO-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.51
Rot. Bonds4

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

3-[propyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one (PubChem CID 104787843) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[propyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
PubChem CID104787843
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name3-[propyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
SMILESCCCN(CC(F)(F)F)C1=CC(=O)CC1
InChIInChI=1S/C10H14F3NO/c1-2-5-14(7-10(11,12)13)8-3-4-9(15)6-8/h6H,2-5,7H2,1H3
InChIKeyGCAXNSFOXYAEJO-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Launch Full Analysis

Related Compounds

(e)-4-(Butylmethylamino)-1,1,1-trifluoro-3-penten-2-one
CID 129706853
(e)-4-Dibutylamino-1,1,1-trifluoro-3-penten-2-one
CID 129706979
3-(Pyrrolidin-1-yl)cyclopent-2-en-1-one
CID 273498
3-Dimethyl-aminocyclopent-2-enone
CID 57659856
(E)-1,1,1-trifluoro-4-pyrrolidin-1-ylpent-3-en-2-one
CID 8003273
(E)-1,1,1-trifluoro-4-[propyl(prop-2-ynyl)amino]oct-3-en-2-one
CID 56590318
1,1,1-Trifluoro-4-pyrrolidin-1-ylpent-3-en-2-one
CID 78591676
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-[Propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787844
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]cyclopent-2-en-1-one
CID 104787890

Frequently Asked Questions

What is the IUPAC name of 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one (CID 104787843) is 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one is CCCN(CC(F)(F)F)C1=CC(=O)CC1.
What is the InChIKey of 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one?
The InChIKey is GCAXNSFOXYAEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-2-5-14(7-10(11,12)13)8-3-4-9(15)6-8/h6H,2-5,7H2,1H3.
What are the key properties of 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one?
3-[propyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one has a molecular weight of 221.22 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104787843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).