1,1,1,2,3,3,5,5-octafluoro-5-(1,1,3,3,4,5,5,5-octafluoropentoxy)pentane

C10H6F16O — CID 87137201

IUPAC1,1,1,2,3,3,5,5-octafluoro-5-(1,1,3,3,4,5,5,5-octafluoropentoxy)pentane
SMILESFC(C(F)(F)F)C(F)(F)CC(F)(F)OC(F)(F)CC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C10H6F16O/c11-3(9(21,22)23)5(13,14)1-7(17,18)27-8(19,20)2-6(15,16)4(12)10(24,25)26/h3-4H,1-2H2
InChIKeySCSDWLLCRLBGQT-UHFFFAOYSA-N
MW446.13 g/mol
LogP6.04
Rot. Bonds8

About 1,1,1,2,3,3,5,5-octafluoro-5-(1,1,3,3,4,5,5,5-octafluoropentoxy)pentane

1,1,1,2,3,3,5,5-octafluoro-5-(1,1,3,3,4,5,5,5-octafluoropentoxy)pentane (PubChem CID 87137201) has the molecular formula C10H6F16O and a molecular weight of 446.13 g/mol. Its IUPAC name is 1,1,1,2,3,3,5,5-octafluoro-5-(1,1,3,3,4,5,5,5-octafluoropentoxy)pentane.

Molecular Properties

Compound Name1,1,1,2,3,3,5,5-octafluoro-5-(1,1,3,3,4,5,5,5-octafluoropentoxy)pentane
PubChem CID87137201
Molecular FormulaC10H6F16O
Molecular Weight446.13 g/mol
Exact Mass446.02
IUPAC Name1,1,1,2,3,3,5,5-octafluoro-5-(1,1,3,3,4,5,5,5-octafluoropentoxy)pentane
SMILESFC(C(F)(F)F)C(F)(F)CC(F)(F)OC(F)(F)CC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C10H6F16O/c11-3(9(21,22)23)5(13,14)1-7(17,18)27-8(19,20)2-6(15,16)4(12)10(24,25)26/h3-4H,1-2H2
InChIKeySCSDWLLCRLBGQT-UHFFFAOYSA-N
XLogP6.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.13
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,1,2,3,3,5,5-octafluoro-5-(1,1,3,3,4,5,5,5-octafluoropentoxy)pentane with MolForge

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Related Compounds

1,1,2,2,3,3,4,4-Octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
CID 2782579
1,1'-Oxybis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane)
CID 136314
Pentane, 1,1'-oxybis[2,2,3,3,4,4,5,5-octafluoro-
CID 12100158
2,2,2-Trifluoroethyl-1,1,2,2-tetrafluoroethyl ether
CID 87337995
1,1,2,2,3,3,4,4-Octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane
CID 129185682
2,2,6,6-Tetrafluorotetrahydropyrane
CID 129670295
Tetrafluoroethyl-2,2,3,3-tetrafluoropropyl ether
CID 137423381
1,1,2,2,3,3,4,4-Octafluoro-5-(1,1,2,3,3,3-hexafluoropropoxy)pentane
CID 14004511
Tetrafluoropropyl octafluoro-pentyl ether
CID 129761689
1,1,1,2,2,3,3,4,4,5,5-Undecafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)pentane
CID 12596614
1,1,1,2,2-Pentafluoro-5-(4,4,5,5,5-pentafluoropentoxy)pentane
CID 11859046
1,1,1,2,2,3,3,4,4,5,5-Undecafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
CID 14832369

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,5,5-octafluoro-5-(1,1,3,3,4,5,5,5-octafluoropentoxy)pentane?
The IUPAC name of 1,1,1,2,3,3,5,5-octafluoro-5-(1,1,3,3,4,5,5,5-octafluoropentoxy)pentane (CID 87137201) is 1,1,1,2,3,3,5,5-octafluoro-5-(1,1,3,3,4,5,5,5-octafluoropentoxy)pentane.
What is the SMILES notation for 1,1,1,2,3,3,5,5-octafluoro-5-(1,1,3,3,4,5,5,5-octafluoropentoxy)pentane?
The canonical SMILES for 1,1,1,2,3,3,5,5-octafluoro-5-(1,1,3,3,4,5,5,5-octafluoropentoxy)pentane is FC(C(F)(F)F)C(F)(F)CC(F)(F)OC(F)(F)CC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,5,5-octafluoro-5-(1,1,3,3,4,5,5,5-octafluoropentoxy)pentane?
The InChIKey is SCSDWLLCRLBGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F16O/c11-3(9(21,22)23)5(13,14)1-7(17,18)27-8(19,20)2-6(15,16)4(12)10(24,25)26/h3-4H,1-2H2.
What are the key properties of 1,1,1,2,3,3,5,5-octafluoro-5-(1,1,3,3,4,5,5,5-octafluoropentoxy)pentane?
1,1,1,2,3,3,5,5-octafluoro-5-(1,1,3,3,4,5,5,5-octafluoropentoxy)pentane has a molecular weight of 446.13 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,5,5-octafluoro-5-(1,1,3,3,4,5,5,5-octafluoropentoxy)pentane is sourced from PubChem (CID 87137201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).