1-methyl-2-(2,2,2-trifluoroethoxy)cyclopentene

C8H11F3O — CID 12869549

IUPAC1-methyl-2-(2,2,2-trifluoroethoxy)cyclopentene
SMILESCC1=C(OCC(F)(F)F)CCC1
InChIInChI=1S/C8H11F3O/c1-6-3-2-4-7(6)12-5-8(9,10)11/h2-5H2,1H3
InChIKeyDEEUSTCTXZOZSD-UHFFFAOYSA-N
MW180.17 g/mol
LogP3.02
Rot. Bonds2

About 1-methyl-2-(2,2,2-trifluoroethoxy)cyclopentene

1-methyl-2-(2,2,2-trifluoroethoxy)cyclopentene (PubChem CID 12869549) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is 1-methyl-2-(2,2,2-trifluoroethoxy)cyclopentene.

Molecular Properties

Compound Name1-methyl-2-(2,2,2-trifluoroethoxy)cyclopentene
PubChem CID12869549
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name1-methyl-2-(2,2,2-trifluoroethoxy)cyclopentene
SMILESCC1=C(OCC(F)(F)F)CCC1
InChIInChI=1S/C8H11F3O/c1-6-3-2-4-7(6)12-5-8(9,10)11/h2-5H2,1H3
InChIKeyDEEUSTCTXZOZSD-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohex-1-ene
CID 75258
4,4-Difluoro-5,6-dimethyl-2,3-dihydropyran
CID 67968795
4-Ethyl-2-methyl-5-(trifluoromethyl)-2,3-dihydrofuran
CID 89041411
6-(1-fluoroethyl)-2,5-dimethyl-3,4-dihydro-2H-pyran
CID 90957440
2,5-dimethyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
CID 118200779
6-ethyl-5-(fluoromethyl)-3,4-dihydro-2H-pyran
CID 134364499
2,3-Bis(2,2,2-trifluoroethoxy)oct-2-ene
CID 141403805
1,3,3,4,4,5,5-Heptafluoro-2-hexoxycyclopentene
CID 158958315
3,3,4,4,5,5-Hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene
CID 167433155
1-Ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene
CID 167433160
1,1,1,4,4,5,5,5-Octafluoro-2-(trifluoromethyl)-3-(5,5,5-trifluoropentoxy)pent-2-ene
CID 170698896
3,3,4,4,5,5-Hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene
CID 176591312

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2,2,2-trifluoroethoxy)cyclopentene?
The IUPAC name of 1-methyl-2-(2,2,2-trifluoroethoxy)cyclopentene (CID 12869549) is 1-methyl-2-(2,2,2-trifluoroethoxy)cyclopentene.
What is the SMILES notation for 1-methyl-2-(2,2,2-trifluoroethoxy)cyclopentene?
The canonical SMILES for 1-methyl-2-(2,2,2-trifluoroethoxy)cyclopentene is CC1=C(OCC(F)(F)F)CCC1.
What is the InChIKey of 1-methyl-2-(2,2,2-trifluoroethoxy)cyclopentene?
The InChIKey is DEEUSTCTXZOZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O/c1-6-3-2-4-7(6)12-5-8(9,10)11/h2-5H2,1H3.
What are the key properties of 1-methyl-2-(2,2,2-trifluoroethoxy)cyclopentene?
1-methyl-2-(2,2,2-trifluoroethoxy)cyclopentene has a molecular weight of 180.17 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2,2,2-trifluoroethoxy)cyclopentene is sourced from PubChem (CID 12869549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).