1-ethoxy-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene

C14H15F7O2 — CID 156765471

IUPAC1-ethoxy-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene
SMILESCCOc1ccccc1C(CC(F)(C(F)(F)F)C(F)(F)F)OC
InChIInChI=1S/C14H15F7O2/c1-3-23-10-7-5-4-6-9(10)11(22-2)8-12(15,13(16,17)18)14(19,20)21/h4-7,11H,3,8H2,1-2H3
InChIKeyQRCGTEFFKDSLRD-UHFFFAOYSA-N
MW348.26 g/mol
LogP5.00
Rot. Bonds6

About 1-ethoxy-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene

1-ethoxy-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene (PubChem CID 156765471) has the molecular formula C14H15F7O2 and a molecular weight of 348.26 g/mol. Its IUPAC name is 1-ethoxy-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene
PubChem CID156765471
Molecular FormulaC14H15F7O2
Molecular Weight348.26 g/mol
Exact Mass348.10
IUPAC Name1-ethoxy-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene
SMILESCCOc1ccccc1C(CC(F)(C(F)(F)F)C(F)(F)F)OC
InChIInChI=1S/C14H15F7O2/c1-3-23-10-7-5-4-6-9(10)11(22-2)8-12(15,13(16,17)18)14(19,20)21/h4-7,11H,3,8H2,1-2H3
InChIKeyQRCGTEFFKDSLRD-UHFFFAOYSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-2-(3,3,4,4,4-pentafluoro-1-methoxybutyl)benzene
CID 156764387
1-bromo-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene
CID 156764357
1-[2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]phenyl]ethanone
CID 156764400
1-(2-methylpropyl)-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene
CID 156765327
1-butoxy-2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-methoxydecyl)benzene
CID 156763900
3,4,4,4-tetrafluoro-1-(2-methoxyphenyl)-3-(trifluoromethyl)butan-1-ol
CID 156764449
1-(3,3,4,4,5,5,6,6,6-nonafluoro-1-methoxyhexyl)-2-propan-2-yloxybenzene
CID 156763329
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol
CID 107140033
1-[(2-methylpropan-2-yl)oxy]-2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-1-methoxynonyl)benzene
CID 156763785
1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 139967229
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene?
The IUPAC name of 1-ethoxy-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene (CID 156765471) is 1-ethoxy-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene.
What is the SMILES notation for 1-ethoxy-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene?
The canonical SMILES for 1-ethoxy-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene is CCOc1ccccc1C(CC(F)(C(F)(F)F)C(F)(F)F)OC.
What is the InChIKey of 1-ethoxy-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene?
The InChIKey is QRCGTEFFKDSLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F7O2/c1-3-23-10-7-5-4-6-9(10)11(22-2)8-12(15,13(16,17)18)14(19,20)21/h4-7,11H,3,8H2,1-2H3.
What are the key properties of 1-ethoxy-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene?
1-ethoxy-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene has a molecular weight of 348.26 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene is sourced from PubChem (CID 156765471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).