1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene

C20H29F — CID 57067777

IUPAC1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene
SMILESFc1ccc(CCC2CCC(C3CCCCC3)CC2)cc1
InChIInChI=1S/C20H29F/c21-20-14-10-17(11-15-20)7-6-16-8-12-19(13-9-16)18-4-2-1-3-5-18/h10-11,14-16,18-19H,1-9,12-13H2
InChIKeyYGVJSCABESSKHI-UHFFFAOYSA-N
MW288.45 g/mol
LogP6.14
Rot. Bonds4

About 1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene

1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene (PubChem CID 57067777) has the molecular formula C20H29F and a molecular weight of 288.45 g/mol. Its IUPAC name is 1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene
PubChem CID57067777
Molecular FormulaC20H29F
Molecular Weight288.45 g/mol
Exact Mass288.23
IUPAC Name1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene
SMILESFc1ccc(CCC2CCC(C3CCCCC3)CC2)cc1
InChIInChI=1S/C20H29F/c21-20-14-10-17(11-15-20)7-6-16-8-12-19(13-9-16)18-4-2-1-3-5-18/h10-11,14-16,18-19H,1-9,12-13H2
InChIKeyYGVJSCABESSKHI-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.45
LogP ≤ 56.14
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
4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]-1-(2-methylpropyl)silinane
CID 54111665
4-[2-(4-fluorophenyl)ethyl]oxane
CID 141096687
CID 23364708
CID 23364708
2-[4-[4-[2-(4-fluorophenyl)ethyl]cyclohexyl]cyclohexyl]but-2-enoic acid
CID 67651623
4-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-1-propylsilinane
CID 54468401
1-fluoro-4-[2-[4-(2-fluoroethenyl)cyclohexyl]ethyl]benzene
CID 67859119
1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
CID 20724010
1-[2-(4-cyclohexylcyclohexyl)ethyl]-2,3-difluoro-4-methylbenzene
CID 142376936
N-[2-(4-fluorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43222915
1-bromo-4-(2-cyclohexylethyl)benzene
CID 70911699

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene?
The IUPAC name of 1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene (CID 57067777) is 1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene.
What is the SMILES notation for 1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene?
The canonical SMILES for 1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene is Fc1ccc(CCC2CCC(C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene?
The InChIKey is YGVJSCABESSKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F/c21-20-14-10-17(11-15-20)7-6-16-8-12-19(13-9-16)18-4-2-1-3-5-18/h10-11,14-16,18-19H,1-9,12-13H2.
What are the key properties of 1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene?
1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene has a molecular weight of 288.45 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene is sourced from PubChem (CID 57067777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).