5-(4-cyclohexyl-2-fluorocyclohexen-1-yl)-1,2,3-trifluorobenzene

C18H20F4 — CID 126565050

IUPAC5-(4-cyclohexyl-2-fluorocyclohexen-1-yl)-1,2,3-trifluorobenzene
SMILESFC1=C(c2cc(F)c(F)c(F)c2)CCC(C2CCCCC2)C1
InChIInChI=1S/C18H20F4/c19-15-8-12(11-4-2-1-3-5-11)6-7-14(15)13-9-16(20)18(22)17(21)10-13/h9-12H,1-8H2
InChIKeyDDYQNZHRRIKXGB-UHFFFAOYSA-N
MW312.35 g/mol
LogP6.16
Rot. Bonds2

About 5-(4-cyclohexyl-2-fluorocyclohexen-1-yl)-1,2,3-trifluorobenzene

5-(4-cyclohexyl-2-fluorocyclohexen-1-yl)-1,2,3-trifluorobenzene (PubChem CID 126565050) has the molecular formula C18H20F4 and a molecular weight of 312.35 g/mol. Its IUPAC name is 5-(4-cyclohexyl-2-fluorocyclohexen-1-yl)-1,2,3-trifluorobenzene.

Molecular Properties

Compound Name5-(4-cyclohexyl-2-fluorocyclohexen-1-yl)-1,2,3-trifluorobenzene
PubChem CID126565050
Molecular FormulaC18H20F4
Molecular Weight312.35 g/mol
Exact Mass312.15
IUPAC Name5-(4-cyclohexyl-2-fluorocyclohexen-1-yl)-1,2,3-trifluorobenzene
SMILESFC1=C(c2cc(F)c(F)c(F)c2)CCC(C2CCCCC2)C1
InChIInChI=1S/C18H20F4/c19-15-8-12(11-4-2-1-3-5-11)6-7-14(15)13-9-16(20)18(22)17(21)10-13/h9-12H,1-8H2
InChIKeyDDYQNZHRRIKXGB-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.35
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexyl-2-fluorocyclohexen-1-yl)-1,2,3-trifluorobenzene?
The IUPAC name of 5-(4-cyclohexyl-2-fluorocyclohexen-1-yl)-1,2,3-trifluorobenzene (CID 126565050) is 5-(4-cyclohexyl-2-fluorocyclohexen-1-yl)-1,2,3-trifluorobenzene.
What is the SMILES notation for 5-(4-cyclohexyl-2-fluorocyclohexen-1-yl)-1,2,3-trifluorobenzene?
The canonical SMILES for 5-(4-cyclohexyl-2-fluorocyclohexen-1-yl)-1,2,3-trifluorobenzene is FC1=C(c2cc(F)c(F)c(F)c2)CCC(C2CCCCC2)C1.
What is the InChIKey of 5-(4-cyclohexyl-2-fluorocyclohexen-1-yl)-1,2,3-trifluorobenzene?
The InChIKey is DDYQNZHRRIKXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F4/c19-15-8-12(11-4-2-1-3-5-11)6-7-14(15)13-9-16(20)18(22)17(21)10-13/h9-12H,1-8H2.
What are the key properties of 5-(4-cyclohexyl-2-fluorocyclohexen-1-yl)-1,2,3-trifluorobenzene?
5-(4-cyclohexyl-2-fluorocyclohexen-1-yl)-1,2,3-trifluorobenzene has a molecular weight of 312.35 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexyl-2-fluorocyclohexen-1-yl)-1,2,3-trifluorobenzene is sourced from PubChem (CID 126565050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).