1-ethyl-4-[1,2,3,4-tetrafluoro-3-(fluoromethyl)butan-2-yl]oxybenzene

C13H15F5O — CID 89339417

IUPAC1-ethyl-4-[1,2,3,4-tetrafluoro-3-(fluoromethyl)butan-2-yl]oxybenzene
SMILESCCc1ccc(OC(F)(CF)C(F)(CF)CF)cc1
InChIInChI=1S/C13H15F5O/c1-2-10-3-5-11(6-4-10)19-13(18,9-16)12(17,7-14)8-15/h3-6H,2,7-9H2,1H3
InChIKeyLUAMVXGDKSXAJK-UHFFFAOYSA-N
MW282.25 g/mol
LogP3.91
Rot. Bonds7

About 1-ethyl-4-[1,2,3,4-tetrafluoro-3-(fluoromethyl)butan-2-yl]oxybenzene

1-ethyl-4-[1,2,3,4-tetrafluoro-3-(fluoromethyl)butan-2-yl]oxybenzene (PubChem CID 89339417) has the molecular formula C13H15F5O and a molecular weight of 282.25 g/mol. Its IUPAC name is 1-ethyl-4-[1,2,3,4-tetrafluoro-3-(fluoromethyl)butan-2-yl]oxybenzene.

Molecular Properties

Compound Name1-ethyl-4-[1,2,3,4-tetrafluoro-3-(fluoromethyl)butan-2-yl]oxybenzene
PubChem CID89339417
Molecular FormulaC13H15F5O
Molecular Weight282.25 g/mol
Exact Mass282.10
IUPAC Name1-ethyl-4-[1,2,3,4-tetrafluoro-3-(fluoromethyl)butan-2-yl]oxybenzene
SMILESCCc1ccc(OC(F)(CF)C(F)(CF)CF)cc1
InChIInChI=1S/C13H15F5O/c1-2-10-3-5-11(6-4-10)19-13(18,9-16)12(17,7-14)8-15/h3-6H,2,7-9H2,1H3
InChIKeyLUAMVXGDKSXAJK-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-[1,1-difluoro-3-(4-propylcyclohexyl)propoxy]-4-ethylbenzene
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CID 22968904
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CID 91207141
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CID 28586305

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[1,2,3,4-tetrafluoro-3-(fluoromethyl)butan-2-yl]oxybenzene?
The IUPAC name of 1-ethyl-4-[1,2,3,4-tetrafluoro-3-(fluoromethyl)butan-2-yl]oxybenzene (CID 89339417) is 1-ethyl-4-[1,2,3,4-tetrafluoro-3-(fluoromethyl)butan-2-yl]oxybenzene.
What is the SMILES notation for 1-ethyl-4-[1,2,3,4-tetrafluoro-3-(fluoromethyl)butan-2-yl]oxybenzene?
The canonical SMILES for 1-ethyl-4-[1,2,3,4-tetrafluoro-3-(fluoromethyl)butan-2-yl]oxybenzene is CCc1ccc(OC(F)(CF)C(F)(CF)CF)cc1.
What is the InChIKey of 1-ethyl-4-[1,2,3,4-tetrafluoro-3-(fluoromethyl)butan-2-yl]oxybenzene?
The InChIKey is LUAMVXGDKSXAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5O/c1-2-10-3-5-11(6-4-10)19-13(18,9-16)12(17,7-14)8-15/h3-6H,2,7-9H2,1H3.
What are the key properties of 1-ethyl-4-[1,2,3,4-tetrafluoro-3-(fluoromethyl)butan-2-yl]oxybenzene?
1-ethyl-4-[1,2,3,4-tetrafluoro-3-(fluoromethyl)butan-2-yl]oxybenzene has a molecular weight of 282.25 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[1,2,3,4-tetrafluoro-3-(fluoromethyl)butan-2-yl]oxybenzene is sourced from PubChem (CID 89339417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).