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

C10H12F3NO — CID 104787842

IUPAC3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
SMILESO=C1C=C(N(CC(F)(F)F)C2CC2)CC1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)6-14(7-1-2-7)8-3-4-9(15)5-8/h5,7H,1-4,6H2
InChIKeyMSKIXGAPBSBOOX-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.26
Rot. Bonds3

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

3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one (PubChem CID 104787842) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
PubChem CID104787842
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
SMILESO=C1C=C(N(CC(F)(F)F)C2CC2)CC1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)6-14(7-1-2-7)8-3-4-9(15)5-8/h5,7H,1-4,6H2
InChIKeyMSKIXGAPBSBOOX-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[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-[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-(3,3,3-Trifluoropropylamino)cyclopent-2-en-1-one
CID 104788497
3-(4,4,4-Trifluorobutylamino)cyclopent-2-en-1-one
CID 104788655
3-(5,5,5-Trifluoropentylamino)cyclopent-2-en-1-one
CID 104788656
3-(4,4,4-Trifluorobutan-2-ylamino)cyclopent-2-en-1-one
CID 105940404
3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopent-2-en-1-one
CID 114490047
3-[2,2-Difluoroethyl(methyl)amino]cyclopent-2-en-1-one
CID 116315363

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one (CID 104787842) is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one is O=C1C=C(N(CC(F)(F)F)C2CC2)CC1.
What is the InChIKey of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one?
The InChIKey is MSKIXGAPBSBOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)6-14(7-1-2-7)8-3-4-9(15)5-8/h5,7H,1-4,6H2.
What are the key properties of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one?
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one has a molecular weight of 219.21 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104787842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).