ethane;2-[2-(trifluoromethyl)phenoxy]cyclobutan-1-one

C13H15F3O2 — CID 144591582

IUPACethane;2-[2-(trifluoromethyl)phenoxy]cyclobutan-1-one
SMILESCC.O=C1CCC1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C11H9F3O2.C2H6/c12-11(13,14)7-3-1-2-4-9(7)16-10-6-5-8(10)15;1-2/h1-4,10H,5-6H2;1-2H3
InChIKeyFLNWVOACSOXLEH-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.84
Rot. Bonds2

About ethane;2-[2-(trifluoromethyl)phenoxy]cyclobutan-1-one

ethane;2-[2-(trifluoromethyl)phenoxy]cyclobutan-1-one (PubChem CID 144591582) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is ethane;2-[2-(trifluoromethyl)phenoxy]cyclobutan-1-one.

Molecular Properties

Compound Nameethane;2-[2-(trifluoromethyl)phenoxy]cyclobutan-1-one
PubChem CID144591582
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Nameethane;2-[2-(trifluoromethyl)phenoxy]cyclobutan-1-one
SMILESCC.O=C1CCC1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C11H9F3O2.C2H6/c12-11(13,14)7-3-1-2-4-9(7)16-10-6-5-8(10)15;1-2/h1-4,10H,5-6H2;1-2H3
InChIKeyFLNWVOACSOXLEH-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
4-methyl-2-[2-(trifluoromethyl)phenoxy]-2H-furan-5-one
CID 154702663
2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine
CID 45283482
[4-ethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexyl]methanamine
CID 43293835
(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 68978029
3,5-dimethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine
CID 64751977
ethane;2-phenylmethoxycyclobutan-1-one
CID 143382516
2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]acetaldehyde
CID 90911845
2-[2-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid
CID 68836477
methyl (2S)-4-[2-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylate
CID 45075597
methyl (2R,4R)-4-[2-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylate
CID 98006342
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-(trifluoromethyl)phenoxy]cyclobutan-1-one?
The IUPAC name of ethane;2-[2-(trifluoromethyl)phenoxy]cyclobutan-1-one (CID 144591582) is ethane;2-[2-(trifluoromethyl)phenoxy]cyclobutan-1-one.
What is the SMILES notation for ethane;2-[2-(trifluoromethyl)phenoxy]cyclobutan-1-one?
The canonical SMILES for ethane;2-[2-(trifluoromethyl)phenoxy]cyclobutan-1-one is CC.O=C1CCC1Oc1ccccc1C(F)(F)F.
What is the InChIKey of ethane;2-[2-(trifluoromethyl)phenoxy]cyclobutan-1-one?
The InChIKey is FLNWVOACSOXLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O2.C2H6/c12-11(13,14)7-3-1-2-4-9(7)16-10-6-5-8(10)15;1-2/h1-4,10H,5-6H2;1-2H3.
What are the key properties of ethane;2-[2-(trifluoromethyl)phenoxy]cyclobutan-1-one?
ethane;2-[2-(trifluoromethyl)phenoxy]cyclobutan-1-one has a molecular weight of 260.25 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(trifluoromethyl)phenoxy]cyclobutan-1-one is sourced from PubChem (CID 144591582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).