1-(cyclohexen-1-yl)-2,3,4,5-tetrafluorobenzene

C12H10F4 — CID 57333305

IUPAC1-(cyclohexen-1-yl)-2,3,4,5-tetrafluorobenzene
SMILESFc1cc(C2=CCCCC2)c(F)c(F)c1F
InChIInChI=1S/C12H10F4/c13-9-6-8(7-4-2-1-3-5-7)10(14)12(16)11(9)15/h4,6H,1-3,5H2
InChIKeyKSMTXIGJYDCSEA-UHFFFAOYSA-N
MW230.20 g/mol
LogP4.20
Rot. Bonds1

About 1-(cyclohexen-1-yl)-2,3,4,5-tetrafluorobenzene

1-(cyclohexen-1-yl)-2,3,4,5-tetrafluorobenzene (PubChem CID 57333305) has the molecular formula C12H10F4 and a molecular weight of 230.20 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2,3,4,5-tetrafluorobenzene.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2,3,4,5-tetrafluorobenzene
PubChem CID57333305
Molecular FormulaC12H10F4
Molecular Weight230.20 g/mol
Exact Mass230.07
IUPAC Name1-(cyclohexen-1-yl)-2,3,4,5-tetrafluorobenzene
SMILESFc1cc(C2=CCCCC2)c(F)c(F)c1F
InChIInChI=1S/C12H10F4/c13-9-6-8(7-4-2-1-3-5-7)10(14)12(16)11(9)15/h4,6H,1-3,5H2
InChIKeyKSMTXIGJYDCSEA-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2,3,4,5-tetrafluorobenzene?
The IUPAC name of 1-(cyclohexen-1-yl)-2,3,4,5-tetrafluorobenzene (CID 57333305) is 1-(cyclohexen-1-yl)-2,3,4,5-tetrafluorobenzene.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2,3,4,5-tetrafluorobenzene?
The canonical SMILES for 1-(cyclohexen-1-yl)-2,3,4,5-tetrafluorobenzene is Fc1cc(C2=CCCCC2)c(F)c(F)c1F.
What is the InChIKey of 1-(cyclohexen-1-yl)-2,3,4,5-tetrafluorobenzene?
The InChIKey is KSMTXIGJYDCSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4/c13-9-6-8(7-4-2-1-3-5-7)10(14)12(16)11(9)15/h4,6H,1-3,5H2.
What are the key properties of 1-(cyclohexen-1-yl)-2,3,4,5-tetrafluorobenzene?
1-(cyclohexen-1-yl)-2,3,4,5-tetrafluorobenzene has a molecular weight of 230.20 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2,3,4,5-tetrafluorobenzene is sourced from PubChem (CID 57333305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).