1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methoxybenzene

C10H7F7O — CID 13418754

IUPAC1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methoxybenzene
SMILESCOc1ccc(C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C10H7F7O/c1-18-7-4-2-6(3-5-7)8(11,12)9(13,14)10(15,16)17/h2-5H,1H3
InChIKeyIAEFNLLTMXHRGE-UHFFFAOYSA-N
MW276.15 g/mol
LogP3.98
Rot. Bonds3

About 1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methoxybenzene

1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methoxybenzene (PubChem CID 13418754) has the molecular formula C10H7F7O and a molecular weight of 276.15 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methoxybenzene
PubChem CID13418754
Molecular FormulaC10H7F7O
Molecular Weight276.15 g/mol
Exact Mass276.04
IUPAC Name1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methoxybenzene
SMILESCOc1ccc(C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C10H7F7O/c1-18-7-4-2-6(3-5-7)8(11,12)9(13,14)10(15,16)17/h2-5H,1H3
InChIKeyIAEFNLLTMXHRGE-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methoxybenzene?
The IUPAC name of 1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methoxybenzene (CID 13418754) is 1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methoxybenzene.
What is the SMILES notation for 1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methoxybenzene?
The canonical SMILES for 1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methoxybenzene is COc1ccc(C(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methoxybenzene?
The InChIKey is IAEFNLLTMXHRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F7O/c1-18-7-4-2-6(3-5-7)8(11,12)9(13,14)10(15,16)17/h2-5H,1H3.
What are the key properties of 1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methoxybenzene?
1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methoxybenzene has a molecular weight of 276.15 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methoxybenzene is sourced from PubChem (CID 13418754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).