2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentan-1-one

C10H11F8NO — CID 4128842

IUPAC2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentan-1-one
SMILESO=C(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H11F8NO/c11-6(12)8(13,14)10(17,18)9(15,16)7(20)19-4-2-1-3-5-19/h6H,1-5H2
InChIKeyFAAKAORFLNXBPH-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.17
Rot. Bonds4

About 2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentan-1-one

2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentan-1-one (PubChem CID 4128842) has the molecular formula C10H11F8NO and a molecular weight of 313.19 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentan-1-one.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentan-1-one
PubChem CID4128842
Molecular FormulaC10H11F8NO
Molecular Weight313.19 g/mol
Exact Mass313.07
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentan-1-one
SMILESO=C(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H11F8NO/c11-6(12)8(13,14)10(17,18)9(15,16)7(20)19-4-2-1-3-5-19/h6H,1-5H2
InChIKeyFAAKAORFLNXBPH-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.17
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

2,2,3,3,4,4,4-Heptafluoro-1-(piperidin-1-yl)butan-1-one
CID 4362103
1-Trifluoroacetyl piperidine
CID 5181830
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-1-piperidin-1-yloctan-1-one
CID 15164363
N,N-Diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 3660287
1-[4-(2,2,2-Trifluoroethyl)-1-piperazinyl]-1-pentanone-hydrogen chloride (1/1)
CID 71782652
N,N-di-n-Pentylheptafluorobutyramide
CID 617537
2,2,2-Trifluoro-1-(3-fluoropiperidin-1-yl)ethan-1-one
CID 134827901
3,3,3-Trifluoro-1-piperidin-1-yl-2-trifluoromethyl-propan-1-one
CID 4328661
1-(3,3,3-Trifluoropropanoyl)piperidine
CID 14383592
1-(4,4-Difluoropiperidin-1-yl)ethanone
CID 23402906
1,1-Dimethyl-4-(2,2,3,3,4,4,5,5,5-nonafluoro-valeryl)piperazinium iodide
CID 129761769
2,2,2-Trifluoro-1-(4-fluoropiperidin-1-yl)ethan-1-one
CID 134827891

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentan-1-one?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentan-1-one (CID 4128842) is 2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentan-1-one.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentan-1-one?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentan-1-one is O=C(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentan-1-one?
The InChIKey is FAAKAORFLNXBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F8NO/c11-6(12)8(13,14)10(17,18)9(15,16)7(20)19-4-2-1-3-5-19/h6H,1-5H2.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentan-1-one?
2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentan-1-one has a molecular weight of 313.19 g/mol, XLogP of 3.17, 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-octafluoro-1-piperidin-1-ylpentan-1-one is sourced from PubChem (CID 4128842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).