4-cyclohexylimino-1,1,1,5,5,5-hexafluoropentan-2-one

C11H13F6NO — CID 101035309

IUPAC4-cyclohexylimino-1,1,1,5,5,5-hexafluoropentan-2-one
SMILESO=C(C/C(=N\C1CCCCC1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F6NO/c12-10(13,14)8(6-9(19)11(15,16)17)18-7-4-2-1-3-5-7/h7H,1-6H2/b18-8+
InChIKeyINEXZJUVKNDONW-QGMBQPNBSA-N
MW289.22 g/mol
LogP3.84
Rot. Bonds3

About 4-cyclohexylimino-1,1,1,5,5,5-hexafluoropentan-2-one

4-cyclohexylimino-1,1,1,5,5,5-hexafluoropentan-2-one (PubChem CID 101035309) has the molecular formula C11H13F6NO and a molecular weight of 289.22 g/mol. Its IUPAC name is 4-cyclohexylimino-1,1,1,5,5,5-hexafluoropentan-2-one.

Molecular Properties

Compound Name4-cyclohexylimino-1,1,1,5,5,5-hexafluoropentan-2-one
PubChem CID101035309
Molecular FormulaC11H13F6NO
Molecular Weight289.22 g/mol
Exact Mass289.09
IUPAC Name4-cyclohexylimino-1,1,1,5,5,5-hexafluoropentan-2-one
SMILESO=C(C/C(=N\C1CCCCC1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F6NO/c12-10(13,14)8(6-9(19)11(15,16)17)18-7-4-2-1-3-5-7/h7H,1-6H2/b18-8+
InChIKeyINEXZJUVKNDONW-QGMBQPNBSA-N
XLogP3.84
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,6,6,6-Octafluoro-5-(2,2,2-trifluoroethylimino)hexan-3-one
CID 15051446
1,1,5,5-Tetrafluoro-3-propan-2-yliminopentan-2-one
CID 125487257
4-Cyclohexylimino-1,1,1-trifluoropentan-2-one
CID 7070559
1,1,1,2,2-Pentafluoro-5-propan-2-yliminohexan-3-one
CID 7147144
1,1,1,5,5,5-Hexafluoro-4-hexyliminopentan-2-one
CID 101035310

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylimino-1,1,1,5,5,5-hexafluoropentan-2-one?
The IUPAC name of 4-cyclohexylimino-1,1,1,5,5,5-hexafluoropentan-2-one (CID 101035309) is 4-cyclohexylimino-1,1,1,5,5,5-hexafluoropentan-2-one.
What is the SMILES notation for 4-cyclohexylimino-1,1,1,5,5,5-hexafluoropentan-2-one?
The canonical SMILES for 4-cyclohexylimino-1,1,1,5,5,5-hexafluoropentan-2-one is O=C(C/C(=N\C1CCCCC1)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-cyclohexylimino-1,1,1,5,5,5-hexafluoropentan-2-one?
The InChIKey is INEXZJUVKNDONW-QGMBQPNBSA-N. The full InChI is InChI=1S/C11H13F6NO/c12-10(13,14)8(6-9(19)11(15,16)17)18-7-4-2-1-3-5-7/h7H,1-6H2/b18-8+.
What are the key properties of 4-cyclohexylimino-1,1,1,5,5,5-hexafluoropentan-2-one?
4-cyclohexylimino-1,1,1,5,5,5-hexafluoropentan-2-one has a molecular weight of 289.22 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylimino-1,1,1,5,5,5-hexafluoropentan-2-one is sourced from PubChem (CID 101035309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).