cyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone

C13H9F5O — CID 62080486

IUPACcyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
SMILESO=C(C1=CCCCC1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H9F5O/c14-8-7(9(15)11(17)12(18)10(8)16)13(19)6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyFSJZWJKBNOETDW-UHFFFAOYSA-N
MW276.20 g/mol
LogP4.07
Rot. Bonds2

About cyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone

cyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone (PubChem CID 62080486) has the molecular formula C13H9F5O and a molecular weight of 276.20 g/mol. Its IUPAC name is cyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
PubChem CID62080486
Molecular FormulaC13H9F5O
Molecular Weight276.20 g/mol
Exact Mass276.06
IUPAC Namecyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
SMILESO=C(C1=CCCCC1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H9F5O/c14-8-7(9(15)11(17)12(18)10(8)16)13(19)6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyFSJZWJKBNOETDW-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

cyclohexen-1-yl-(2,6-difluorophenyl)methanone
CID 62078294
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone
CID 106652041
(3-amino-2,6-difluorophenyl)-(cyclohepten-1-yl)methanone
CID 79768522
[(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone
CID 106651781
cyclohexen-1-yl(pyrimidin-2-yl)methanone
CID 106651764
cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone
CID 103450510
cycloheptene-1-carboxamide
CID 22261654
cyclopenten-1-yl-(2-fluoro-3-methylphenyl)methanone
CID 81481190
cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone
CID 103449982
1-(cyclohexen-1-yl)propane-1,2-dione
CID 68719323
aluminum tris(cycloheptene-1-carboxylate)
CID 22604888
(2-amino-4-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone
CID 103449954

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone?
The IUPAC name of cyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone (CID 62080486) is cyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone?
The canonical SMILES for cyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone is O=C(C1=CCCCC1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of cyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone?
The InChIKey is FSJZWJKBNOETDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F5O/c14-8-7(9(15)11(17)12(18)10(8)16)13(19)6-4-2-1-3-5-6/h4H,1-3,5H2.
What are the key properties of cyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone?
cyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone has a molecular weight of 276.20 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone is sourced from PubChem (CID 62080486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).