1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylseleninyl)butane

C8F18OSe — CID 101028436

IUPAC1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylseleninyl)butane
SMILESO=[Se](C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8F18OSe/c9-1(10,5(17,18)19)3(13,14)7(23,24)28(27)8(25,26)4(15,16)2(11,12)6(20,21)22
InChIKeyMZWLCILSFDFDBN-UHFFFAOYSA-N
MW533.01 g/mol
LogP5.42
Rot. Bonds6

About 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylseleninyl)butane

1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylseleninyl)butane (PubChem CID 101028436) has the molecular formula C8F18OSe and a molecular weight of 533.01 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylseleninyl)butane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylseleninyl)butane
PubChem CID101028436
Molecular FormulaC8F18OSe
Molecular Weight533.01 g/mol
Exact Mass533.88
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylseleninyl)butane
SMILESO=[Se](C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8F18OSe/c9-1(10,5(17,18)19)3(13,14)7(23,24)28(27)8(25,26)4(15,16)2(11,12)6(20,21)22
InChIKeyMZWLCILSFDFDBN-UHFFFAOYSA-N
XLogP5.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.01
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
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CID 6432
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CID 152609331
1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,10,10,11,11,11-icosafluoroundec-4-yne
CID 172561754
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-docosafluorodecane;trifluoromethanesulfonic acid
CID 87936901
CID 22349056
CID 22349056
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,25-pentacontafluoropentacosan-13-one
CID 158650223
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal
CID 23080700

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylseleninyl)butane?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylseleninyl)butane (CID 101028436) is 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylseleninyl)butane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylseleninyl)butane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylseleninyl)butane is O=[Se](C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(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-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylseleninyl)butane?
The InChIKey is MZWLCILSFDFDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F18OSe/c9-1(10,5(17,18)19)3(13,14)7(23,24)28(27)8(25,26)4(15,16)2(11,12)6(20,21)22.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylseleninyl)butane?
1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylseleninyl)butane has a molecular weight of 533.01 g/mol, XLogP of 5.42, 6 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-4-(1,1,2,2,3,3,4,4,4-nonafluorobutylseleninyl)butane is sourced from PubChem (CID 101028436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).