1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C9H11F3O2 — CID 103206648

IUPAC1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)C1=CCCC1
InChIInChI=1S/C9H11F3O2/c10-9(11,12)6-14-5-8(13)7-3-1-2-4-7/h3H,1-2,4-6H2
InChIKeyDYKMLFXFWHGGTN-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.24
Rot. Bonds4

About 1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103206648) has the molecular formula C9H11F3O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103206648
Molecular FormulaC9H11F3O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)C1=CCCC1
InChIInChI=1S/C9H11F3O2/c10-9(11,12)6-14-5-8(13)7-3-1-2-4-7/h3H,1-2,4-6H2
InChIKeyDYKMLFXFWHGGTN-UHFFFAOYSA-N
XLogP2.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103206648) is 1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is DYKMLFXFWHGGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O2/c10-9(11,12)6-14-5-8(13)7-3-1-2-4-7/h3H,1-2,4-6H2.
What are the key properties of 1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 208.18 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103206648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).