2,2,3,3,4,4,5,5,6,6-decafluorooxonane;1,1,1,2,2,4,4,6,6-nonafluorooctane

C16H15F19O — CID 157326079

IUPAC2,2,3,3,4,4,5,5,6,6-decafluorooxonane;1,1,1,2,2,4,4,6,6-nonafluorooctane
SMILESCCC(F)(F)CC(F)(F)CC(F)(F)C(F)(F)F.FC1(F)CCCOC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H6F10O.C8H9F9/c9-4(10)2-1-3-19-8(17,18)7(15,16)6(13,14)5(4,11)12;1-2-5(9,10)3-6(11,12)4-7(13,14)8(15,16)17/h1-3H2;2-4H2,1H3
InChIKeyBESRVASNJABMJC-UHFFFAOYSA-N
MW584.26 g/mol
LogP8.58
Rot. Bonds5

About 2,2,3,3,4,4,5,5,6,6-decafluorooxonane;1,1,1,2,2,4,4,6,6-nonafluorooctane

2,2,3,3,4,4,5,5,6,6-decafluorooxonane;1,1,1,2,2,4,4,6,6-nonafluorooctane (PubChem CID 157326079) has the molecular formula C16H15F19O and a molecular weight of 584.26 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluorooxonane;1,1,1,2,2,4,4,6,6-nonafluorooctane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluorooxonane;1,1,1,2,2,4,4,6,6-nonafluorooctane
PubChem CID157326079
Molecular FormulaC16H15F19O
Molecular Weight584.26 g/mol
Exact Mass584.08
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluorooxonane;1,1,1,2,2,4,4,6,6-nonafluorooctane
SMILESCCC(F)(F)CC(F)(F)CC(F)(F)C(F)(F)F.FC1(F)CCCOC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H6F10O.C8H9F9/c9-4(10)2-1-3-19-8(17,18)7(15,16)6(13,14)5(4,11)12;1-2-5(9,10)3-6(11,12)4-7(13,14)8(15,16)17/h1-3H2;2-4H2,1H3
InChIKeyBESRVASNJABMJC-UHFFFAOYSA-N
XLogP8.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.26
LogP ≤ 58.58
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

1,1,1,3,3,5,5,7,7-nonafluorononane
CID 58352388
1,1,1,3,3,5,5-heptafluoroheptane
CID 87414420
2,2,4,4,6,6,8,8-octafluorodecane
CID 126493051
2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
CID 175012727
1,1,1,2,2,4,4,6,6,8,8,10,10-tridecafluoro-12-methyltridecane
CID 58100020
2-ethyl-2-fluorooxolane;fluoroethane;fluoromethane
CID 91569034
2-chloro-1,1,2-trifluoro-3-(1,1,2,2-tetrafluorobutyl)cyclobutane
CID 556598
2,2-difluoro-3-(2-methyloxan-2-yl)propan-1-ol
CID 162570891
3-ethyl-3,4,4-trifluorooxepane
CID 18737311
2,2,3-triethoxy-3-methyloxane
CID 150971833
3,3,5,5,7,7,9,9-octafluoro-2,2,11,11-tetramethyldodecane
CID 171742432
2-ethyl-2-methyl-1,3-oxazinane
CID 535787

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluorooxonane;1,1,1,2,2,4,4,6,6-nonafluorooctane?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluorooxonane;1,1,1,2,2,4,4,6,6-nonafluorooctane (CID 157326079) is 2,2,3,3,4,4,5,5,6,6-decafluorooxonane;1,1,1,2,2,4,4,6,6-nonafluorooctane.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluorooxonane;1,1,1,2,2,4,4,6,6-nonafluorooctane?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluorooxonane;1,1,1,2,2,4,4,6,6-nonafluorooctane is CCC(F)(F)CC(F)(F)CC(F)(F)C(F)(F)F.FC1(F)CCCOC(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluorooxonane;1,1,1,2,2,4,4,6,6-nonafluorooctane?
The InChIKey is BESRVASNJABMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F10O.C8H9F9/c9-4(10)2-1-3-19-8(17,18)7(15,16)6(13,14)5(4,11)12;1-2-5(9,10)3-6(11,12)4-7(13,14)8(15,16)17/h1-3H2;2-4H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluorooxonane;1,1,1,2,2,4,4,6,6-nonafluorooctane?
2,2,3,3,4,4,5,5,6,6-decafluorooxonane;1,1,1,2,2,4,4,6,6-nonafluorooctane has a molecular weight of 584.26 g/mol, XLogP of 8.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decafluorooxonane;1,1,1,2,2,4,4,6,6-nonafluorooctane is sourced from PubChem (CID 157326079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).