1,1,2,2,3,3,4,5,5-nonafluoro-6-methoxy-4-(trifluoromethyl)hexane

C8H6F12O — CID 170095946

IUPAC1,1,2,2,3,3,4,5,5-nonafluoro-6-methoxy-4-(trifluoromethyl)hexane
SMILESCOCC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H6F12O/c1-21-2-4(11,12)6(15,8(18,19)20)7(16,17)5(13,14)3(9)10/h3H,2H2,1H3
InChIKeyRBWTWNCRFLFGPF-UHFFFAOYSA-N
MW346.11 g/mol
LogP4.07
Rot. Bonds6

About 1,1,2,2,3,3,4,5,5-nonafluoro-6-methoxy-4-(trifluoromethyl)hexane

1,1,2,2,3,3,4,5,5-nonafluoro-6-methoxy-4-(trifluoromethyl)hexane (PubChem CID 170095946) has the molecular formula C8H6F12O and a molecular weight of 346.11 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,5,5-nonafluoro-6-methoxy-4-(trifluoromethyl)hexane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,5,5-nonafluoro-6-methoxy-4-(trifluoromethyl)hexane
PubChem CID170095946
Molecular FormulaC8H6F12O
Molecular Weight346.11 g/mol
Exact Mass346.02
IUPAC Name1,1,2,2,3,3,4,5,5-nonafluoro-6-methoxy-4-(trifluoromethyl)hexane
SMILESCOCC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H6F12O/c1-21-2-4(11,12)6(15,8(18,19)20)7(16,17)5(13,14)3(9)10/h3H,2H2,1H3
InChIKeyRBWTWNCRFLFGPF-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.11
LogP ≤ 54.07
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

1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-13-methoxy-2-(trifluoromethyl)tridecane
CID 170095555
1,1,1,2,2-pentafluoro-3-methoxypropane
CID 2776015
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methoxyhexane
CID 71669115
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane
CID 21057502
2,2,3,3,4,4,5,5-octafluoropentyl hypoiodite
CID 148632122
ethoxyethane;1,1,1,2,2,3,3,4,4-nonafluorobutane
CID 87793625
5-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,2,3,3,4,4-octafluoropentane
CID 19761973
2,2,3,3-tetrafluoro-1-methoxybutane
CID 59343885
5-chloro-1,1,2,2,3,3,4-heptafluoro-4-methoxypentane
CID 14093190
CID 58700662
CID 58700662
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl methyl sulfate
CID 148576735
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy(trimethyl)silane
CID 14981318

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,5,5-nonafluoro-6-methoxy-4-(trifluoromethyl)hexane?
The IUPAC name of 1,1,2,2,3,3,4,5,5-nonafluoro-6-methoxy-4-(trifluoromethyl)hexane (CID 170095946) is 1,1,2,2,3,3,4,5,5-nonafluoro-6-methoxy-4-(trifluoromethyl)hexane.
What is the SMILES notation for 1,1,2,2,3,3,4,5,5-nonafluoro-6-methoxy-4-(trifluoromethyl)hexane?
The canonical SMILES for 1,1,2,2,3,3,4,5,5-nonafluoro-6-methoxy-4-(trifluoromethyl)hexane is COCC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,5,5-nonafluoro-6-methoxy-4-(trifluoromethyl)hexane?
The InChIKey is RBWTWNCRFLFGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F12O/c1-21-2-4(11,12)6(15,8(18,19)20)7(16,17)5(13,14)3(9)10/h3H,2H2,1H3.
What are the key properties of 1,1,2,2,3,3,4,5,5-nonafluoro-6-methoxy-4-(trifluoromethyl)hexane?
1,1,2,2,3,3,4,5,5-nonafluoro-6-methoxy-4-(trifluoromethyl)hexane has a molecular weight of 346.11 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,5,5-nonafluoro-6-methoxy-4-(trifluoromethyl)hexane is sourced from PubChem (CID 170095946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).