1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene

C11H9F7O — CID 139967229

IUPAC1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
SMILESCCOc1ccccc1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H9F7O/c1-2-19-8-6-4-3-5-7(8)9(12,10(13,14)15)11(16,17)18/h3-6H,2H2,1H3
InChIKeyGOHBJEIYQGYHFB-UHFFFAOYSA-N
MW290.18 g/mol
LogP4.37
Rot. Bonds3

About 1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene

1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene (PubChem CID 139967229) has the molecular formula C11H9F7O and a molecular weight of 290.18 g/mol. Its IUPAC name is 1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene.

Molecular Properties

Compound Name1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
PubChem CID139967229
Molecular FormulaC11H9F7O
Molecular Weight290.18 g/mol
Exact Mass290.05
IUPAC Name1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
SMILESCCOc1ccccc1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H9F7O/c1-2-19-8-6-4-3-5-7(8)9(12,10(13,14)15)11(16,17)18/h3-6H,2H2,1H3
InChIKeyGOHBJEIYQGYHFB-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 107140543
4-(2-ethoxyphenyl)heptan-4-ol
CID 114866097
2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol
CID 156763137
3-(2-ethoxyphenyl)-2-methylpentan-3-amine
CID 62802052
1-ethoxy-2-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-methoxynonan-2-yl)benzene
CID 156763296
ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate
CID 62397772
4-(2-ethoxyphenyl)-4-methylpentan-2-one
CID 64717616
3-(2-ethoxyphenyl)-3-methylbutanoic acid
CID 81003890
1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine
CID 55120471
2-(2-ethoxyphenyl)-1-(ethylamino)propan-2-ol
CID 62773390
2-(2-ethoxyphenyl)-4-methoxybutan-2-ol
CID 62802549
1-(2-ethoxyphenyl)-2-methoxy-1-phenylethanol
CID 103465363

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene?
The IUPAC name of 1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene (CID 139967229) is 1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene.
What is the SMILES notation for 1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene?
The canonical SMILES for 1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene is CCOc1ccccc1C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene?
The InChIKey is GOHBJEIYQGYHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F7O/c1-2-19-8-6-4-3-5-7(8)9(12,10(13,14)15)11(16,17)18/h3-6H,2H2,1H3.
What are the key properties of 1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene?
1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene has a molecular weight of 290.18 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene is sourced from PubChem (CID 139967229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).