1,1,1,2,2,3,3,4,4-nonafluoro-5-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pentane

C10H2F18O — CID 175759723

IUPAC1,1,1,2,2,3,3,4,4-nonafluoro-5-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pentane
SMILESFC(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H2F18O/c11-2(5(15,16)7(19,20)9(23,24)25)3(12)29-1-4(13,14)6(17,18)8(21,22)10(26,27)28/h1H2
InChIKeyYFBKSSZNWZNDRV-UHFFFAOYSA-N
MW480.09 g/mol
LogP6.41
Rot. Bonds7

About 1,1,1,2,2,3,3,4,4-nonafluoro-5-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pentane

1,1,1,2,2,3,3,4,4-nonafluoro-5-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pentane (PubChem CID 175759723) has the molecular formula C10H2F18O and a molecular weight of 480.09 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluoro-5-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pentane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluoro-5-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pentane
PubChem CID175759723
Molecular FormulaC10H2F18O
Molecular Weight480.09 g/mol
Exact Mass479.98
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluoro-5-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pentane
SMILESFC(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H2F18O/c11-2(5(15,16)7(19,20)9(23,24)25)3(12)29-1-4(13,14)6(17,18)8(21,22)10(26,27)28/h1H2
InChIKeyYFBKSSZNWZNDRV-UHFFFAOYSA-N
XLogP6.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.09
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,3-pentafluoropropoxy)hex-1-ene
CID 175759797
1-ethoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene
CID 172692823
1,2,3,3,4,4,5,5,5-nonafluoro-1-pentoxypent-1-ene
CID 175759689
1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-hexoxyhex-1-ene
CID 175759743
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl acetate
CID 154385185
2,2,3,3,3-pentafluoropropyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl carbonate
CID 99769571
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl 2,2-difluoroacetate
CID 98454961
1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-(2-prop-2-enoxyethoxy)non-1-ene
CID 175347724
[2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)-2-oxoethyl] 2-methylpropanoate
CID 118909062
1,1,1,2,2,3,3,4,4,5,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-5-ene
CID 85237088
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl prop-2-enoate
CID 3013855
CID 158938378
CID 158938378

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-5-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pentane?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-5-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pentane (CID 175759723) is 1,1,1,2,2,3,3,4,4-nonafluoro-5-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pentane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluoro-5-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pentane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluoro-5-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pentane is FC(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=C(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-nonafluoro-5-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pentane?
The InChIKey is YFBKSSZNWZNDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F18O/c11-2(5(15,16)7(19,20)9(23,24)25)3(12)29-1-4(13,14)6(17,18)8(21,22)10(26,27)28/h1H2.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluoro-5-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pentane?
1,1,1,2,2,3,3,4,4-nonafluoro-5-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pentane has a molecular weight of 480.09 g/mol, XLogP of 6.41, 7 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-nonafluoro-5-(1,2,3,3,4,4,5,5,5-nonafluoropent-1-enoxy)pentane is sourced from PubChem (CID 175759723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).