1,1,1,5,5,5-hexafluoro-4-hexyliminopentan-2-one

C11H15F6NO — CID 101035310

IUPAC1,1,1,5,5,5-hexafluoro-4-hexyliminopentan-2-one
SMILESCCCCCC/N=C(\CC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6NO/c1-2-3-4-5-6-18-8(10(12,13)14)7-9(19)11(15,16)17/h2-7H2,1H3/b18-8+
InChIKeyWLGWWEUJWMVRFX-QGMBQPNBSA-N
MW291.24 g/mol
LogP4.09
Rot. Bonds7

About 1,1,1,5,5,5-hexafluoro-4-hexyliminopentan-2-one

1,1,1,5,5,5-hexafluoro-4-hexyliminopentan-2-one (PubChem CID 101035310) has the molecular formula C11H15F6NO and a molecular weight of 291.24 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-4-hexyliminopentan-2-one.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-4-hexyliminopentan-2-one
PubChem CID101035310
Molecular FormulaC11H15F6NO
Molecular Weight291.24 g/mol
Exact Mass291.11
IUPAC Name1,1,1,5,5,5-hexafluoro-4-hexyliminopentan-2-one
SMILESCCCCCC/N=C(\CC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6NO/c1-2-3-4-5-6-18-8(10(12,13)14)7-9(19)11(15,16)17/h2-7H2,1H3/b18-8+
InChIKeyWLGWWEUJWMVRFX-QGMBQPNBSA-N
XLogP4.09
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-Ethylenebis(trifluoroacetylacetoneimine)
CID 193293
N,N'-Butylenebis(5,5,5-trifluoro-4-oxopentan-2-imine)
CID 586813
N,N'-Ethylenebis(5,5,5-trifluoro-4-oxopentan-2-imine)
CID 597142
2-Pentanone, 1,1,1,5,5,5-hexafluoro-4-[(2,2,2-trifluoroethyl)imino]-
CID 15051445
1,1,1,2,2,6,6,6-Octafluoro-5-(2,2,2-trifluoroethylimino)hexan-3-one
CID 15051446
1,1,1,2,2,3,3,7,7,7-Decafluoro-6-(2,2,2-trifluoroethylimino)heptan-4-one
CID 15051447
6,6,6-Trifluoro-3-methyliminohexan-2-one
CID 91429249
1,1,1-Trifluoro-4-propyliminopentan-2-one
CID 118001960
1,1,5,5-Tetrafluoro-3-propan-2-yliminopentan-2-one
CID 125487257
5,5,5-Trifluoro-4-propyliminopentan-2-one
CID 144821708
5,5,5-Trifluoro-4-methyliminopentan-2-one
CID 176049046
4-Cyclohexylimino-1,1,1-trifluoropentan-2-one
CID 7070559

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-4-hexyliminopentan-2-one?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-4-hexyliminopentan-2-one (CID 101035310) is 1,1,1,5,5,5-hexafluoro-4-hexyliminopentan-2-one.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-4-hexyliminopentan-2-one?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-4-hexyliminopentan-2-one is CCCCCC/N=C(\CC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-4-hexyliminopentan-2-one?
The InChIKey is WLGWWEUJWMVRFX-QGMBQPNBSA-N. The full InChI is InChI=1S/C11H15F6NO/c1-2-3-4-5-6-18-8(10(12,13)14)7-9(19)11(15,16)17/h2-7H2,1H3/b18-8+.
What are the key properties of 1,1,1,5,5,5-hexafluoro-4-hexyliminopentan-2-one?
1,1,1,5,5,5-hexafluoro-4-hexyliminopentan-2-one has a molecular weight of 291.24 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-4-hexyliminopentan-2-one is sourced from PubChem (CID 101035310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).