1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene

C24H35F — CID 57115523

IUPAC1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene
SMILESCCCc1ccc(C2CCC(C3CCC(CC=CF)CC3)CC2)cc1
InChIInChI=1S/C24H35F/c1-2-4-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(9-13-22)5-3-18-25/h3,6-7,10-11,18,20,22-24H,2,4-5,8-9,12-17H2,1H3
InChIKeyCOAWRHYKJZGGHP-UHFFFAOYSA-N
MW342.54 g/mol
LogP7.59
Rot. Bonds6

About 1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene

1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene (PubChem CID 57115523) has the molecular formula C24H35F and a molecular weight of 342.54 g/mol. Its IUPAC name is 1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene
PubChem CID57115523
Molecular FormulaC24H35F
Molecular Weight342.54 g/mol
Exact Mass342.27
IUPAC Name1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene
SMILESCCCc1ccc(C2CCC(C3CCC(CC=CF)CC3)CC2)cc1
InChIInChI=1S/C24H35F/c1-2-4-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(9-13-22)5-3-18-25/h3,6-7,10-11,18,20,22-24H,2,4-5,8-9,12-17H2,1H3
InChIKeyCOAWRHYKJZGGHP-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.54
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene
CID 67864648
1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
CID 54484505
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
1-[4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 19798733
(E)-4-[4-(4-propylphenyl)cyclohexyl]but-2-enoic acid
CID 67642965
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene
CID 19892612
1-butyl-4-[4-[(E)-5,5,5-trifluoropent-2-enyl]cyclohexyl]benzene
CID 19695503
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
4-[4-(3-fluoroprop-2-enyl)cyclohexyl]benzonitrile
CID 54020861
1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene
CID 19798695

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene?
The IUPAC name of 1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene (CID 57115523) is 1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene.
What is the SMILES notation for 1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene?
The canonical SMILES for 1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene is CCCc1ccc(C2CCC(C3CCC(CC=CF)CC3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene?
The InChIKey is COAWRHYKJZGGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F/c1-2-4-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(9-13-22)5-3-18-25/h3,6-7,10-11,18,20,22-24H,2,4-5,8-9,12-17H2,1H3.
What are the key properties of 1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene?
1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene has a molecular weight of 342.54 g/mol, XLogP of 7.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene is sourced from PubChem (CID 57115523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).