(4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene

C14H13F9O — CID 156765042

IUPAC(4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene
SMILESCOC(C)(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H13F9O/c1-10(24-2,9-6-4-3-5-7-9)8-11(15,16)12(17,18)13(19,20)14(21,22)23/h3-7H,8H2,1-2H3
InChIKeyVMNUASHTWDTHIA-UHFFFAOYSA-N
MW368.24 g/mol
LogP5.41
Rot. Bonds6

About (4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene

(4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene (PubChem CID 156765042) has the molecular formula C14H13F9O and a molecular weight of 368.24 g/mol. Its IUPAC name is (4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene.

Molecular Properties

Compound Name(4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene
PubChem CID156765042
Molecular FormulaC14H13F9O
Molecular Weight368.24 g/mol
Exact Mass368.08
IUPAC Name(4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene
SMILESCOC(C)(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H13F9O/c1-10(24-2,9-6-4-3-5-7-9)8-11(15,16)12(17,18)13(19,20)14(21,22)23/h3-7H,8H2,1-2H3
InChIKeyVMNUASHTWDTHIA-UHFFFAOYSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.24
LogP ≤ 55.41
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

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Methyl trityl ether
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Benzenemethanol, alpha,alpha-dimethyl-, 1-acetate
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2H-Pyran, 3,6-dihydro-4-methyl-2-phenyl-
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1-(2-Methoxypropan-2-yl)-4-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of (4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene?
The IUPAC name of (4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene (CID 156765042) is (4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene.
What is the SMILES notation for (4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene?
The canonical SMILES for (4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene is COC(C)(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of (4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene?
The InChIKey is VMNUASHTWDTHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F9O/c1-10(24-2,9-6-4-3-5-7-9)8-11(15,16)12(17,18)13(19,20)14(21,22)23/h3-7H,8H2,1-2H3.
What are the key properties of (4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene?
(4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene has a molecular weight of 368.24 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene is sourced from PubChem (CID 156765042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).