6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-piperidin-1-ylhexan-1-one

C11H10ClF10NO — CID 3412650

IUPAC6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-piperidin-1-ylhexan-1-one
SMILESO=C(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C11H10ClF10NO/c12-11(21,22)10(19,20)9(17,18)8(15,16)7(13,14)6(24)23-4-2-1-3-5-23/h1-5H2
InChIKeyRJDZRQICSUQHOQ-UHFFFAOYSA-N
MW397.64 g/mol
LogP4.37
Rot. Bonds5

About 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-piperidin-1-ylhexan-1-one

6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-piperidin-1-ylhexan-1-one (PubChem CID 3412650) has the molecular formula C11H10ClF10NO and a molecular weight of 397.64 g/mol. Its IUPAC name is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-piperidin-1-ylhexan-1-one.

Molecular Properties

Compound Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-piperidin-1-ylhexan-1-one
PubChem CID3412650
Molecular FormulaC11H10ClF10NO
Molecular Weight397.64 g/mol
Exact Mass397.03
IUPAC Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-piperidin-1-ylhexan-1-one
SMILESO=C(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C11H10ClF10NO/c12-11(21,22)10(19,20)9(17,18)8(15,16)7(13,14)6(24)23-4-2-1-3-5-23/h1-5H2
InChIKeyRJDZRQICSUQHOQ-UHFFFAOYSA-N
XLogP4.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.64
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-piperidin-1-ylhexan-1-one with MolForge

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Related Compounds

6-Chloro-1-[4-(6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5,6,6-decafluorohexan-1-one
CID 3089644
6-Chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-morpholin-4-ylhexan-1-one
CID 3089654
1-(Azepan-1-yl)-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexan-1-one
CID 3272973
9-Chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-(4-methylpiperazin-1-yl)nonan-1-one
CID 3357684
11-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide
CID 3515688
N-butyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-methylnonanamide
CID 3534162
5-Chloro-1-[4-(5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl)piperazin-1-yl]-2,2,3,3,4,4,5,5-octafluoropentan-1-one
CID 3708662
8-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanamide
CID 4047637
9-Chloro-1-(4-ethylpiperazin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononan-1-one
CID 4120977
2,2,3,3,4,4,5,5-Octafluoro-1-piperidin-1-ylpentan-1-one
CID 4128842
11-Chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-1-piperidin-1-ylundecan-1-one
CID 4134117
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(2-methylpropyl)hexanamide
CID 4157925

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-piperidin-1-ylhexan-1-one?
The IUPAC name of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-piperidin-1-ylhexan-1-one (CID 3412650) is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-piperidin-1-ylhexan-1-one.
What is the SMILES notation for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-piperidin-1-ylhexan-1-one?
The canonical SMILES for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-piperidin-1-ylhexan-1-one is O=C(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-piperidin-1-ylhexan-1-one?
The InChIKey is RJDZRQICSUQHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF10NO/c12-11(21,22)10(19,20)9(17,18)8(15,16)7(13,14)6(24)23-4-2-1-3-5-23/h1-5H2.
What are the key properties of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-piperidin-1-ylhexan-1-one?
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-piperidin-1-ylhexan-1-one has a molecular weight of 397.64 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-1-piperidin-1-ylhexan-1-one is sourced from PubChem (CID 3412650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).