1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]-2-(trifluoromethyl)cyclopentane

C13H23F3O — CID 173379763

IUPAC1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]-2-(trifluoromethyl)cyclopentane
SMILESCCC1CCC(COC(C)(C)C)C1C(F)(F)F
InChIInChI=1S/C13H23F3O/c1-5-9-6-7-10(8-17-12(2,3)4)11(9)13(14,15)16/h9-11H,5-8H2,1-4H3
InChIKeyHMEQTLYSOOMGPK-UHFFFAOYSA-N
MW252.32 g/mol
LogP4.42
Rot. Bonds3

About 1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]-2-(trifluoromethyl)cyclopentane

1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]-2-(trifluoromethyl)cyclopentane (PubChem CID 173379763) has the molecular formula C13H23F3O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]-2-(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]-2-(trifluoromethyl)cyclopentane
PubChem CID173379763
Molecular FormulaC13H23F3O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]-2-(trifluoromethyl)cyclopentane
SMILESCCC1CCC(COC(C)(C)C)C1C(F)(F)F
InChIInChI=1S/C13H23F3O/c1-5-9-6-7-10(8-17-12(2,3)4)11(9)13(14,15)16/h9-11H,5-8H2,1-4H3
InChIKeyHMEQTLYSOOMGPK-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane
CID 10752552
3-(1,1-Difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-octoxy-1-(trifluoromethyl)cyclopentane
CID 20781748
3-Cyclopentyl-1-methyl-1-(2,2,2-trifluoroethoxy)cyclopentane
CID 57272460
2-[2-Ethoxy-3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 57806667
5-(2-Ethoxy-3,3,3-trifluoro-2-methylpropyl)-2,3-dimethylbicyclo[2.2.1]heptane
CID 58205748
3-(1,1-Difluoroethyl)-1-[difluoro(fluoromethoxy)methyl]-4-ethyl-1,2,2,3-tetrafluorocyclopentane
CID 58425859
1-(3-Propylcyclopentyl)-4-(trifluoromethoxy)cyclohexane
CID 58555704
4-Ethyl-1-hexyl-2-(2,2,2-trifluoroethoxymethyl)cyclopentane
CID 58813219
1-Ethyl-3-[3-(2,2,3,3,4,4,4-heptafluorobutoxy)propyl]cyclopentane
CID 58813222
4-Ethyl-1-octyl-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane
CID 58813226
1-Ethyl-3-[3-(2,2,3,3,3-pentafluoropropoxy)propyl]cyclopentane
CID 58813231
1-Ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane
CID 58813248

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]-2-(trifluoromethyl)cyclopentane?
The IUPAC name of 1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]-2-(trifluoromethyl)cyclopentane (CID 173379763) is 1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]-2-(trifluoromethyl)cyclopentane.
What is the SMILES notation for 1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]-2-(trifluoromethyl)cyclopentane?
The canonical SMILES for 1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]-2-(trifluoromethyl)cyclopentane is CCC1CCC(COC(C)(C)C)C1C(F)(F)F.
What is the InChIKey of 1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]-2-(trifluoromethyl)cyclopentane?
The InChIKey is HMEQTLYSOOMGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3O/c1-5-9-6-7-10(8-17-12(2,3)4)11(9)13(14,15)16/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]-2-(trifluoromethyl)cyclopentane?
1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]-2-(trifluoromethyl)cyclopentane has a molecular weight of 252.32 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]-2-(trifluoromethyl)cyclopentane is sourced from PubChem (CID 173379763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).