1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane

C6H6F8O — CID 171647533

IUPAC1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane
SMILESCOC(F)(F)C(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C6H6F8O/c1-15-6(13,14)5(11,12)3(7)2-4(8,9)10/h3H,2H2,1H3
InChIKeyCYRJSAXZVVRBFV-UHFFFAOYSA-N
MW246.10 g/mol
LogP3.15
Rot. Bonds4

About 1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane

1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane (PubChem CID 171647533) has the molecular formula C6H6F8O and a molecular weight of 246.10 g/mol. Its IUPAC name is 1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane.

Molecular Properties

Compound Name1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane
PubChem CID171647533
Molecular FormulaC6H6F8O
Molecular Weight246.10 g/mol
Exact Mass246.03
IUPAC Name1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane
SMILESCOC(F)(F)C(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C6H6F8O/c1-15-6(13,14)5(11,12)3(7)2-4(8,9)10/h3H,2H2,1H3
InChIKeyCYRJSAXZVVRBFV-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 53.15
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

1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane
CID 141085282
(3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane
CID 97291038
dimethoxy(1,1,2,2,3,3,4,4,5,5,6,8,8,8-tetradecafluorooctyl)silane
CID 175373175
CID 167434962
CID 167434962
trimethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,10,10,10-octadecafluorodecyl)silane
CID 177311634
1,1,1,2,3,3,4,4,5,7,7,7-dodecafluoroheptane
CID 175358537
(3,3,4,6,6,6-hexafluoro-2-methylhexan-2-yl)phosphonic acid
CID 150136088
1,1,1,3-tetrafluoro-3-methoxypropane
CID 141176664
CID 170562709
CID 170562709
1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,9-hexadecafluorononane
CID 141204802
1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptyl 2-methylprop-2-enoate
CID 71374003
1,1,2,4,4,4-hexafluorobutan-1-amine
CID 156717565

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane?
The IUPAC name of 1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane (CID 171647533) is 1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane.
What is the SMILES notation for 1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane?
The canonical SMILES for 1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane is COC(F)(F)C(F)(F)C(F)CC(F)(F)F.
What is the InChIKey of 1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane?
The InChIKey is CYRJSAXZVVRBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O/c1-15-6(13,14)5(11,12)3(7)2-4(8,9)10/h3H,2H2,1H3.
What are the key properties of 1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane?
1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane has a molecular weight of 246.10 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane is sourced from PubChem (CID 171647533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).