1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

C24H35F — CID 139666683

IUPAC1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc([C@H]4C[C@H]4F)cc3)CC2)CC1
InChIInChI=1S/C24H35F/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-14-22(15-13-21)23-16-24(23)25/h12-15,17-20,23-24H,2-11,16H2,1H3/t17?,18?,19?,20?,23-,24-/m1/s1
InChIKeyZHMOYWGMFXNRSB-VSIXFNFZSA-N
MW342.54 g/mol
LogP7.39
Rot. Bonds5

About 1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 139666683) has the molecular formula C24H35F and a molecular weight of 342.54 g/mol. Its IUPAC name is 1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID139666683
Molecular FormulaC24H35F
Molecular Weight342.54 g/mol
Exact Mass342.27
IUPAC Name1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc([C@H]4C[C@H]4F)cc3)CC2)CC1
InChIInChI=1S/C24H35F/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-14-22(15-13-21)23-16-24(23)25/h12-15,17-20,23-24H,2-11,16H2,1H3/t17?,18?,19?,20?,23-,24-/m1/s1
InChIKeyZHMOYWGMFXNRSB-VSIXFNFZSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.54
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

pentafluoro-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane
CID 54147756
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
ethyl-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]silane
CID 123784930
1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 59247481
1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
CID 58932728
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
(4-propylcyclohexyl)benzene
CID 155887669
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
(2R,4aR,6R,8aR)-2-(4-fluorophenyl)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809899
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
2-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]acetic acid
CID 19026680

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 139666683) is 1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCC1CCC(C2CCC(c3ccc([C@H]4C[C@H]4F)cc3)CC2)CC1.
What is the InChIKey of 1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is ZHMOYWGMFXNRSB-VSIXFNFZSA-N. The full InChI is InChI=1S/C24H35F/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-14-22(15-13-21)23-16-24(23)25/h12-15,17-20,23-24H,2-11,16H2,1H3/t17?,18?,19?,20?,23-,24-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 342.54 g/mol, XLogP of 7.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 139666683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).