1,1,1,2,4,5,5,5-octafluoro-3-methoxypentane

C6H6F8O — CID 54351271

IUPAC1,1,1,2,4,5,5,5-octafluoro-3-methoxypentane
SMILESCOC(C(F)C(F)(F)F)C(F)C(F)(F)F
InChIInChI=1S/C6H6F8O/c1-15-2(3(7)5(9,10)11)4(8)6(12,13)14/h2-4H,1H3
InChIKeyUFYLGOVXBXAORH-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.80
Rot. Bonds3

About 1,1,1,2,4,5,5,5-octafluoro-3-methoxypentane

1,1,1,2,4,5,5,5-octafluoro-3-methoxypentane (PubChem CID 54351271) has the molecular formula C6H6F8O and a molecular weight of 246.10 g/mol. Its IUPAC name is 1,1,1,2,4,5,5,5-octafluoro-3-methoxypentane.

Molecular Properties

Compound Name1,1,1,2,4,5,5,5-octafluoro-3-methoxypentane
PubChem CID54351271
Molecular FormulaC6H6F8O
Molecular Weight246.10 g/mol
Exact Mass246.03
IUPAC Name1,1,1,2,4,5,5,5-octafluoro-3-methoxypentane
SMILESCOC(C(F)C(F)(F)F)C(F)C(F)(F)F
InChIInChI=1S/C6H6F8O/c1-15-2(3(7)5(9,10)11)4(8)6(12,13)14/h2-4H,1H3
InChIKeyUFYLGOVXBXAORH-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1,2,4,4,4-heptafluoro-3-methoxybutane
CID 57200862
(2S)-1,1,1,2-tetrafluoro-2-methoxyethane
CID 10986261
(2R)-1,1,1,2-tetrafluoro-2-methoxyethane
CID 14272779
3,3,3-trifluoro-2-methoxypropanenitrile
CID 175610097
2,2,2-trifluoro-1-methoxyethanol
CID 9892
difluoro(methoxy)methane;methoxymethane;trifluoro(methoxy)methane
CID 158880331
1,1,1-trifluoro-2-methoxy-4,4-dimethylpentane
CID 170375646
1,1,1,2,3,4,5,5,5-nonafluoro-2-methylpentane
CID 86215913
1,1,1-trifluoro-2-methoxy-3-methylbutane
CID 59790373
1-fluoro-1-(2,2,2-trifluoro-1-methoxyethyl)cyclopropane
CID 59850431
1,1,2-trifluoro-3,3-dimethoxy-N-methylpropan-1-amine
CID 118010605
methoxy-oxo-(2,2,2-trifluoro-1-methoxyethyl)phosphanium
CID 130464327

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,4,5,5,5-octafluoro-3-methoxypentane?
The IUPAC name of 1,1,1,2,4,5,5,5-octafluoro-3-methoxypentane (CID 54351271) is 1,1,1,2,4,5,5,5-octafluoro-3-methoxypentane.
What is the SMILES notation for 1,1,1,2,4,5,5,5-octafluoro-3-methoxypentane?
The canonical SMILES for 1,1,1,2,4,5,5,5-octafluoro-3-methoxypentane is COC(C(F)C(F)(F)F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,4,5,5,5-octafluoro-3-methoxypentane?
The InChIKey is UFYLGOVXBXAORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O/c1-15-2(3(7)5(9,10)11)4(8)6(12,13)14/h2-4H,1H3.
What are the key properties of 1,1,1,2,4,5,5,5-octafluoro-3-methoxypentane?
1,1,1,2,4,5,5,5-octafluoro-3-methoxypentane has a molecular weight of 246.10 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,4,5,5,5-octafluoro-3-methoxypentane is sourced from PubChem (CID 54351271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).