2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanone

C9H11F3O2 — CID 15183584

IUPAC2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanone
SMILESCOC1=C(C(=O)C(F)(F)F)CCCC1
InChIInChI=1S/C9H11F3O2/c1-14-7-5-3-2-4-6(7)8(13)9(10,11)12/h2-5H2,1H3
InChIKeyDQDMBFWSWBXMGP-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.59
Rot. Bonds2

About 2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanone

2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanone (PubChem CID 15183584) has the molecular formula C9H11F3O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanone
PubChem CID15183584
Molecular FormulaC9H11F3O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanone
SMILESCOC1=C(C(=O)C(F)(F)F)CCCC1
InChIInChI=1S/C9H11F3O2/c1-14-7-5-3-2-4-6(7)8(13)9(10,11)12/h2-5H2,1H3
InChIKeyDQDMBFWSWBXMGP-UHFFFAOYSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanone (CID 15183584) is 2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanone is COC1=C(C(=O)C(F)(F)F)CCCC1.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanone?
The InChIKey is DQDMBFWSWBXMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O2/c1-14-7-5-3-2-4-6(7)8(13)9(10,11)12/h2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanone?
2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanone has a molecular weight of 208.18 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-methoxycyclohexen-1-yl)ethanone is sourced from PubChem (CID 15183584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).