2,4,5,6,8-pentafluorooctan-3-one

C8H11F5O — CID 175417573

IUPAC2,4,5,6,8-pentafluorooctan-3-one
SMILESCC(F)C(=O)C(F)C(F)C(F)CCF
InChIInChI=1S/C8H11F5O/c1-4(10)8(14)7(13)6(12)5(11)2-3-9/h4-7H,2-3H2,1H3
InChIKeyDDRLNEMXGCOFKC-UHFFFAOYSA-N
MW218.16 g/mol
LogP2.29
Rot. Bonds6

About 2,4,5,6,8-pentafluorooctan-3-one

2,4,5,6,8-pentafluorooctan-3-one (PubChem CID 175417573) has the molecular formula C8H11F5O and a molecular weight of 218.16 g/mol. Its IUPAC name is 2,4,5,6,8-pentafluorooctan-3-one.

Molecular Properties

Compound Name2,4,5,6,8-pentafluorooctan-3-one
PubChem CID175417573
Molecular FormulaC8H11F5O
Molecular Weight218.16 g/mol
Exact Mass218.07
IUPAC Name2,4,5,6,8-pentafluorooctan-3-one
SMILESCC(F)C(=O)C(F)C(F)C(F)CCF
InChIInChI=1S/C8H11F5O/c1-4(10)8(14)7(13)6(12)5(11)2-3-9/h4-7H,2-3H2,1H3
InChIKeyDDRLNEMXGCOFKC-UHFFFAOYSA-N
XLogP2.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 2,3,5-trifluoropentanoate
CID 174529809
carbonic acid;1,3-difluorobutane
CID 87178365
1,2,3,4,5,6,8-heptafluorooctane-1-sulfonic acid
CID 87182098
bis(1,3-difluoropropyl) carbonate
CID 87131982
(2S)-4-fluoro-2-methylbutanoic acid
CID 89258003
3,4-diethyl-5,6,7,8,9,10,11,12,14-nonafluorotetradecane-3-sulfonic acid
CID 175529274
4-(2-fluoroethyl)-2-methylheptan-3-one
CID 166106889
2-bromo-4-fluoropentan-3-one
CID 18740647
N,2,4-trifluorobutanamide
CID 23290112
3-ethyl-5-fluoropentan-2-one
CID 80696730
potassium 2,3,4,6-tetrafluorohexane-1-sulfonate
CID 134207453
2-(2-fluoroethoxy)propanoic acid
CID 84648269

Frequently Asked Questions

What is the IUPAC name of 2,4,5,6,8-pentafluorooctan-3-one?
The IUPAC name of 2,4,5,6,8-pentafluorooctan-3-one (CID 175417573) is 2,4,5,6,8-pentafluorooctan-3-one.
What is the SMILES notation for 2,4,5,6,8-pentafluorooctan-3-one?
The canonical SMILES for 2,4,5,6,8-pentafluorooctan-3-one is CC(F)C(=O)C(F)C(F)C(F)CCF.
What is the InChIKey of 2,4,5,6,8-pentafluorooctan-3-one?
The InChIKey is DDRLNEMXGCOFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5O/c1-4(10)8(14)7(13)6(12)5(11)2-3-9/h4-7H,2-3H2,1H3.
What are the key properties of 2,4,5,6,8-pentafluorooctan-3-one?
2,4,5,6,8-pentafluorooctan-3-one has a molecular weight of 218.16 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6,8-pentafluorooctan-3-one is sourced from PubChem (CID 175417573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).