1,2,2,3,3,4,5,6,7,7-decafluoro-1-methoxyheptane

C8H8F10O — CID 174239213

IUPAC1,2,2,3,3,4,5,6,7,7-decafluoro-1-methoxyheptane
SMILESCOC(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C8H8F10O/c1-19-6(14)8(17,18)7(15,16)4(11)2(9)3(10)5(12)13/h2-6H,1H3
InChIKeyDCHKEVVLYRDERH-UHFFFAOYSA-N
MW310.13 g/mol
LogP3.48
Rot. Bonds7

About 1,2,2,3,3,4,5,6,7,7-decafluoro-1-methoxyheptane

1,2,2,3,3,4,5,6,7,7-decafluoro-1-methoxyheptane (PubChem CID 174239213) has the molecular formula C8H8F10O and a molecular weight of 310.13 g/mol. Its IUPAC name is 1,2,2,3,3,4,5,6,7,7-decafluoro-1-methoxyheptane.

Molecular Properties

Compound Name1,2,2,3,3,4,5,6,7,7-decafluoro-1-methoxyheptane
PubChem CID174239213
Molecular FormulaC8H8F10O
Molecular Weight310.13 g/mol
Exact Mass310.04
IUPAC Name1,2,2,3,3,4,5,6,7,7-decafluoro-1-methoxyheptane
SMILESCOC(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C8H8F10O/c1-19-6(14)8(17,18)7(15,16)4(11)2(9)3(10)5(12)13/h2-6H,1H3
InChIKeyDCHKEVVLYRDERH-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 53.48
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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lithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate
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1-fluoro-1-methoxy-2,2-dimethylpropane
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1,1,2,3,4,5,6,7,7-nonafluoroheptan-1-ol
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1,1,1,4,5,5-hexafluoro-3-methoxypentane
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fluoro 2,2,3,3,4,4,5,5,6,7,8,9,10,11,11-pentadecafluoroundecanoate
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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,5,6,7,7-decafluoro-1-methoxyheptane?
The IUPAC name of 1,2,2,3,3,4,5,6,7,7-decafluoro-1-methoxyheptane (CID 174239213) is 1,2,2,3,3,4,5,6,7,7-decafluoro-1-methoxyheptane.
What is the SMILES notation for 1,2,2,3,3,4,5,6,7,7-decafluoro-1-methoxyheptane?
The canonical SMILES for 1,2,2,3,3,4,5,6,7,7-decafluoro-1-methoxyheptane is COC(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)F.
What is the InChIKey of 1,2,2,3,3,4,5,6,7,7-decafluoro-1-methoxyheptane?
The InChIKey is DCHKEVVLYRDERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F10O/c1-19-6(14)8(17,18)7(15,16)4(11)2(9)3(10)5(12)13/h2-6H,1H3.
What are the key properties of 1,2,2,3,3,4,5,6,7,7-decafluoro-1-methoxyheptane?
1,2,2,3,3,4,5,6,7,7-decafluoro-1-methoxyheptane has a molecular weight of 310.13 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,5,6,7,7-decafluoro-1-methoxyheptane is sourced from PubChem (CID 174239213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).