1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-4-methoxybenzene

C12H7F7O — CID 11961846

IUPAC1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-4-methoxybenzene
SMILESCOc1ccc(C2=C(F)C(F)(F)C(F)(F)C2(F)F)cc1
InChIInChI=1S/C12H7F7O/c1-20-7-4-2-6(3-5-7)8-9(13)11(16,17)12(18,19)10(8,14)15/h2-5H,1H3
InChIKeyNXOLFUOMJSBJJD-UHFFFAOYSA-N
MW300.17 g/mol
LogP4.30
Rot. Bonds2

About 1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-4-methoxybenzene

1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-4-methoxybenzene (PubChem CID 11961846) has the molecular formula C12H7F7O and a molecular weight of 300.17 g/mol. Its IUPAC name is 1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-4-methoxybenzene
PubChem CID11961846
Molecular FormulaC12H7F7O
Molecular Weight300.17 g/mol
Exact Mass300.04
IUPAC Name1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-4-methoxybenzene
SMILESCOc1ccc(C2=C(F)C(F)(F)C(F)(F)C2(F)F)cc1
InChIInChI=1S/C12H7F7O/c1-20-7-4-2-6(3-5-7)8-9(13)11(16,17)12(18,19)10(8,14)15/h2-5H,1H3
InChIKeyNXOLFUOMJSBJJD-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-(trifluoromethyl)thiophen-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-(trifluoromethyl)thiophene
CID 21044692
3-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-6-[2-(4-methoxyphenyl)ethenyl]-2-methyl-1-benzothiophene
CID 139654327
1,3-difluoro-5-(4-methoxyphenyl)benzene
CID 11499528
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(4-methoxyphenyl)phenyl]benzene
CID 102219520
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1,2-difluoro-3-(4-methoxyphenyl)benzene
CID 59532996
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
4-[3-[2-[2-(4-cyanophenyl)-5-(4-methoxyphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-(4-methoxyphenyl)thiophen-2-yl]benzonitrile
CID 89484002
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-[3-bromo-2-(4-methoxyphenyl)-3-phenylcyclopropen-1-yl]-4-methoxybenzene
CID 134870119
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
1,1,2,2,3,3,4,4-octafluoro-6-methoxynaphthalene
CID 165383709

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-4-methoxybenzene?
The IUPAC name of 1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-4-methoxybenzene (CID 11961846) is 1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-4-methoxybenzene.
What is the SMILES notation for 1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-4-methoxybenzene?
The canonical SMILES for 1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-4-methoxybenzene is COc1ccc(C2=C(F)C(F)(F)C(F)(F)C2(F)F)cc1.
What is the InChIKey of 1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-4-methoxybenzene?
The InChIKey is NXOLFUOMJSBJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F7O/c1-20-7-4-2-6(3-5-7)8-9(13)11(16,17)12(18,19)10(8,14)15/h2-5H,1H3.
What are the key properties of 1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-4-methoxybenzene?
1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-4-methoxybenzene has a molecular weight of 300.17 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-4-methoxybenzene is sourced from PubChem (CID 11961846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).