1-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)-2-propan-2-ylbenzene

C16H19F7O — CID 156765928

IUPAC1-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)-2-propan-2-ylbenzene
SMILESCOC(C)(CC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1C(C)C
InChIInChI=1S/C16H19F7O/c1-10(2)11-7-5-6-8-12(11)13(3,24-4)9-14(17,18)15(19,20)16(21,22)23/h5-8,10H,9H2,1-4H3
InChIKeyRWXPXVBYBJEMHS-UHFFFAOYSA-N
MW360.31 g/mol
LogP5.89
Rot. Bonds6

About 1-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)-2-propan-2-ylbenzene

1-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)-2-propan-2-ylbenzene (PubChem CID 156765928) has the molecular formula C16H19F7O and a molecular weight of 360.31 g/mol. Its IUPAC name is 1-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)-2-propan-2-ylbenzene
PubChem CID156765928
Molecular FormulaC16H19F7O
Molecular Weight360.31 g/mol
Exact Mass360.13
IUPAC Name1-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)-2-propan-2-ylbenzene
SMILESCOC(C)(CC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1C(C)C
InChIInChI=1S/C16H19F7O/c1-10(2)11-7-5-6-8-12(11)13(3,24-4)9-14(17,18)15(19,20)16(21,22)23/h5-8,10H,9H2,1-4H3
InChIKeyRWXPXVBYBJEMHS-UHFFFAOYSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.31
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)-2-propan-2-ylbenzene with MolForge

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Related Compounds

1-(2-methylpropoxy)-2-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene
CID 156763588
1-(1,2-dimethoxypropan-2-yl)-2-propan-2-ylbenzene
CID 59734576
1-ethoxy-2-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-methoxynonan-2-yl)benzene
CID 156763296
1-chloro-2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)benzene
CID 156764253
1-iodo-2-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-methoxynonan-2-yl)benzene
CID 156765217
1-methoxy-2-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)benzene
CID 156765653
1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene
CID 156763308
1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene
CID 156765220
1-phenyl-2-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-methoxynonan-2-yl)benzene
CID 156763768
1-propyl-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene
CID 156765872
1-propoxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene
CID 156763303
1-tert-butyl-4-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)benzene
CID 156764195

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)-2-propan-2-ylbenzene?
The IUPAC name of 1-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)-2-propan-2-ylbenzene (CID 156765928) is 1-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)-2-propan-2-ylbenzene.
What is the SMILES notation for 1-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)-2-propan-2-ylbenzene?
The canonical SMILES for 1-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)-2-propan-2-ylbenzene is COC(C)(CC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1C(C)C.
What is the InChIKey of 1-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)-2-propan-2-ylbenzene?
The InChIKey is RWXPXVBYBJEMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F7O/c1-10(2)11-7-5-6-8-12(11)13(3,24-4)9-14(17,18)15(19,20)16(21,22)23/h5-8,10H,9H2,1-4H3.
What are the key properties of 1-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)-2-propan-2-ylbenzene?
1-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)-2-propan-2-ylbenzene has a molecular weight of 360.31 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,5,5,6,6,6-heptafluoro-2-methoxyhexan-2-yl)-2-propan-2-ylbenzene is sourced from PubChem (CID 156765928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).