1-fluoro-4-[2-[4-(2-fluoroethenyl)cyclohexyl]ethyl]benzene

C16H20F2 — CID 67859119

IUPAC1-fluoro-4-[2-[4-(2-fluoroethenyl)cyclohexyl]ethyl]benzene
SMILESFC=CC1CCC(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H20F2/c17-12-11-15-5-3-13(4-6-15)1-2-14-7-9-16(18)10-8-14/h7-13,15H,1-6H2
InChIKeyBHABEBAGTCEPOT-UHFFFAOYSA-N
MW250.33 g/mol
LogP5.05
Rot. Bonds4

About 1-fluoro-4-[2-[4-(2-fluoroethenyl)cyclohexyl]ethyl]benzene

1-fluoro-4-[2-[4-(2-fluoroethenyl)cyclohexyl]ethyl]benzene (PubChem CID 67859119) has the molecular formula C16H20F2 and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-fluoro-4-[2-[4-(2-fluoroethenyl)cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[2-[4-(2-fluoroethenyl)cyclohexyl]ethyl]benzene
PubChem CID67859119
Molecular FormulaC16H20F2
Molecular Weight250.33 g/mol
Exact Mass250.15
IUPAC Name1-fluoro-4-[2-[4-(2-fluoroethenyl)cyclohexyl]ethyl]benzene
SMILESFC=CC1CCC(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H20F2/c17-12-11-15-5-3-13(4-6-15)1-2-14-7-9-16(18)10-8-14/h7-13,15H,1-6H2
InChIKeyBHABEBAGTCEPOT-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.33
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-fluorobenzene
CID 18656555
1-fluoro-4-[2-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]benzene
CID 19992676
1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene
CID 57067777
4-[2-(4-fluorophenyl)ethyl]oxane
CID 141096687
1-fluoro-4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]benzene
CID 67786063
2-(4-fluorophenyl)-5-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]pyridine
CID 19094961
1-chloro-4-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 18656204
1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 54416262
1-[(E)-4-fluorobut-3-enyl]-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 19798745
2-fluoro-4-[4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene
CID 19695183
2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]-1,3-dioxane
CID 18997894
1-(5-fluoropentyl)-4-[2-[4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene
CID 54227543

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-[4-(2-fluoroethenyl)cyclohexyl]ethyl]benzene?
The IUPAC name of 1-fluoro-4-[2-[4-(2-fluoroethenyl)cyclohexyl]ethyl]benzene (CID 67859119) is 1-fluoro-4-[2-[4-(2-fluoroethenyl)cyclohexyl]ethyl]benzene.
What is the SMILES notation for 1-fluoro-4-[2-[4-(2-fluoroethenyl)cyclohexyl]ethyl]benzene?
The canonical SMILES for 1-fluoro-4-[2-[4-(2-fluoroethenyl)cyclohexyl]ethyl]benzene is FC=CC1CCC(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-fluoro-4-[2-[4-(2-fluoroethenyl)cyclohexyl]ethyl]benzene?
The InChIKey is BHABEBAGTCEPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2/c17-12-11-15-5-3-13(4-6-15)1-2-14-7-9-16(18)10-8-14/h7-13,15H,1-6H2.
What are the key properties of 1-fluoro-4-[2-[4-(2-fluoroethenyl)cyclohexyl]ethyl]benzene?
1-fluoro-4-[2-[4-(2-fluoroethenyl)cyclohexyl]ethyl]benzene has a molecular weight of 250.33 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[2-[4-(2-fluoroethenyl)cyclohexyl]ethyl]benzene is sourced from PubChem (CID 67859119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).