2,2,3,3,4,4,5,5,5-nonafluoro-1-(3-fluorophenyl)pentan-1-one

C11H4F10O — CID 146007001

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-1-(3-fluorophenyl)pentan-1-one
SMILESO=C(c1cccc(F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H4F10O/c12-6-3-1-2-5(4-6)7(22)8(13,14)9(15,16)10(17,18)11(19,20)21/h1-4H
InChIKeyVHFIPHFHCVPECR-UHFFFAOYSA-N
MW342.13 g/mol
LogP4.48
Rot. Bonds4

About 2,2,3,3,4,4,5,5,5-nonafluoro-1-(3-fluorophenyl)pentan-1-one

2,2,3,3,4,4,5,5,5-nonafluoro-1-(3-fluorophenyl)pentan-1-one (PubChem CID 146007001) has the molecular formula C11H4F10O and a molecular weight of 342.13 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-1-(3-fluorophenyl)pentan-1-one.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-1-(3-fluorophenyl)pentan-1-one
PubChem CID146007001
Molecular FormulaC11H4F10O
Molecular Weight342.13 g/mol
Exact Mass342.01
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-1-(3-fluorophenyl)pentan-1-one
SMILESO=C(c1cccc(F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H4F10O/c12-6-3-1-2-5(4-6)7(22)8(13,14)9(15,16)10(17,18)11(19,20)21/h1-4H
InChIKeyVHFIPHFHCVPECR-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.13
LogP ≤ 54.48
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

2,2,2-trichloro-1-(3-fluorophenyl)ethanone
CID 21200944
1-(3-ethoxyphenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one
CID 146006516
2,2,3,3,4,4,5,5,5-nonafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pentan-1-one
CID 146009194
1-(3-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
CID 146008234
1-[3,5-bis(trifluoromethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one
CID 146008670
1-(3-chloro-4-methylphenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one
CID 146005832
3-fluorobenzoyl bromide
CID 20822510
2,2,3,3,4,4,5,5,5-nonafluoro-1-[3-fluoro-2-(trifluoromethyl)phenyl]pentan-1-one
CID 146009000
bismuth tris(3-fluorobenzoate)
CID 132504465
2,2,3,3,4,4,5,5,5-nonafluoro-1-(4-propan-2-ylphenyl)pentan-1-one
CID 146007209
2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one
CID 63409962
3-fluoro-N-hydroxybenzamide
CID 5082377

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-1-(3-fluorophenyl)pentan-1-one?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-1-(3-fluorophenyl)pentan-1-one (CID 146007001) is 2,2,3,3,4,4,5,5,5-nonafluoro-1-(3-fluorophenyl)pentan-1-one.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-1-(3-fluorophenyl)pentan-1-one?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-1-(3-fluorophenyl)pentan-1-one is O=C(c1cccc(F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoro-1-(3-fluorophenyl)pentan-1-one?
The InChIKey is VHFIPHFHCVPECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F10O/c12-6-3-1-2-5(4-6)7(22)8(13,14)9(15,16)10(17,18)11(19,20)21/h1-4H.
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-1-(3-fluorophenyl)pentan-1-one?
2,2,3,3,4,4,5,5,5-nonafluoro-1-(3-fluorophenyl)pentan-1-one has a molecular weight of 342.13 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-1-(3-fluorophenyl)pentan-1-one is sourced from PubChem (CID 146007001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).