3-[methyl(3,3,3-trifluoropropyl)amino]cyclopent-2-en-1-one

C9H12F3NO — CID 104787967

IUPAC3-[methyl(3,3,3-trifluoropropyl)amino]cyclopent-2-en-1-one
SMILESCN(CCC(F)(F)F)C1=CC(=O)CC1
InChIInChI=1S/C9H12F3NO/c1-13(5-4-9(10,11)12)7-2-3-8(14)6-7/h6H,2-5H2,1H3
InChIKeyOTAPRCDHPDFMPM-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.12
Rot. Bonds3

About 3-[methyl(3,3,3-trifluoropropyl)amino]cyclopent-2-en-1-one

3-[methyl(3,3,3-trifluoropropyl)amino]cyclopent-2-en-1-one (PubChem CID 104787967) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 3-[methyl(3,3,3-trifluoropropyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[methyl(3,3,3-trifluoropropyl)amino]cyclopent-2-en-1-one
PubChem CID104787967
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name3-[methyl(3,3,3-trifluoropropyl)amino]cyclopent-2-en-1-one
SMILESCN(CCC(F)(F)F)C1=CC(=O)CC1
InChIInChI=1S/C9H12F3NO/c1-13(5-4-9(10,11)12)7-2-3-8(14)6-7/h6H,2-5H2,1H3
InChIKeyOTAPRCDHPDFMPM-UHFFFAOYSA-N
XLogP2.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-[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

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3,3,3-trifluoropropyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[methyl(3,3,3-trifluoropropyl)amino]cyclopent-2-en-1-one (CID 104787967) is 3-[methyl(3,3,3-trifluoropropyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[methyl(3,3,3-trifluoropropyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[methyl(3,3,3-trifluoropropyl)amino]cyclopent-2-en-1-one is CN(CCC(F)(F)F)C1=CC(=O)CC1.
What is the InChIKey of 3-[methyl(3,3,3-trifluoropropyl)amino]cyclopent-2-en-1-one?
The InChIKey is OTAPRCDHPDFMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-13(5-4-9(10,11)12)7-2-3-8(14)6-7/h6H,2-5H2,1H3.
What are the key properties of 3-[methyl(3,3,3-trifluoropropyl)amino]cyclopent-2-en-1-one?
3-[methyl(3,3,3-trifluoropropyl)amino]cyclopent-2-en-1-one has a molecular weight of 207.19 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3,3,3-trifluoropropyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104787967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).