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

C11H15F3O2 — CID 103206651

IUPAC1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)C1=CCCCCC1
InChIInChI=1S/C11H15F3O2/c12-11(13,14)8-16-7-10(15)9-5-3-1-2-4-6-9/h5H,1-4,6-8H2
InChIKeyCJBZIWUIDJAOJH-UHFFFAOYSA-N
MW236.23 g/mol
LogP3.02
Rot. Bonds4

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

1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103206651) has the molecular formula C11H15F3O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103206651
Molecular FormulaC11H15F3O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)C1=CCCCCC1
InChIInChI=1S/C11H15F3O2/c12-11(13,14)8-16-7-10(15)9-5-3-1-2-4-6-9/h5H,1-4,6-8H2
InChIKeyCJBZIWUIDJAOJH-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[8-(2,2,2-Trifluoroethoxy)octyl]cyclohexa-2,5-diene-1,4-dione
CID 172695538
1-(1-Cyclohexenyl)-2-ethoxyprop-2-en-1-one
CID 24975460
1-(Cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 106656112
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohex-2-en-1-one
CID 65171639
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclopent-2-en-1-one
CID 65174981
1-(Cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103206642
1-(Cyclohexen-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103206643
1-(Cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206645
1-(Cyclopenten-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103206646
1-(Cyclopenten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103206647
1-(Cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206648
1-(Cyclohepten-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103206649

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103206651) is 1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is CJBZIWUIDJAOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O2/c12-11(13,14)8-16-7-10(15)9-5-3-1-2-4-6-9/h5H,1-4,6-8H2.
What are the key properties of 1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 236.23 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103206651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).