1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-methoxyhexane

C7H4F12O — CID 14272785

IUPAC1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-methoxyhexane
SMILESCOC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H4F12O/c1-20-2(8)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)19/h2H,1H3
InChIKeyDRGCDIOKYVZVPM-UHFFFAOYSA-N
MW332.08 g/mol
LogP4.03
Rot. Bonds5

About 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-methoxyhexane

1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-methoxyhexane (PubChem CID 14272785) has the molecular formula C7H4F12O and a molecular weight of 332.08 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-methoxyhexane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-methoxyhexane
PubChem CID14272785
Molecular FormulaC7H4F12O
Molecular Weight332.08 g/mol
Exact Mass332.01
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-methoxyhexane
SMILESCOC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H4F12O/c1-20-2(8)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)19/h2H,1H3
InChIKeyDRGCDIOKYVZVPM-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.08
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-methoxyhexane with MolForge

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-methoxyhexane
CID 22715439
1-Ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane
CID 23432499
1,1,1,2,2,3,3,4,4-Nonafluoro-6-propoxyhexane
CID 44480565
1,1,1,2,2,3,3,4,4-Nonafluoro-6-(pentyloxy)hexane
CID 44480566
6-(1,1-Difluoroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
CID 85753373
Ethyl perfluoroheptyl ether
CID 9909702
(Perfluorohexyl)ethyl ether
CID 87277022
2,2,3,3,4,4,5,5-Octafluoropentyl difluoromethylether
CID 10333943
6-Ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane
CID 54330931
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-methoxy-heptane
CID 21057573
1,1,2,2,3,3,4,4,5,5-Decafluoro-1-methoxypentane
CID 18335956
Methyl dodecafluoroheptyl ether
CID 129763205

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-methoxyhexane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-methoxyhexane (CID 14272785) is 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-methoxyhexane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-methoxyhexane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-methoxyhexane is COC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-methoxyhexane?
The InChIKey is DRGCDIOKYVZVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F12O/c1-20-2(8)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)19/h2H,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-methoxyhexane?
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-methoxyhexane has a molecular weight of 332.08 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-methoxyhexane is sourced from PubChem (CID 14272785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).