1-[2-(4-cyclohexylcyclohexyl)ethyl]-2,3-difluoro-4-methylbenzene

C21H30F2 — CID 142376936

IUPAC1-[2-(4-cyclohexylcyclohexyl)ethyl]-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(CCC2CCC(C3CCCCC3)CC2)c(F)c1F
InChIInChI=1S/C21H30F2/c1-15-7-11-19(21(23)20(15)22)14-10-16-8-12-18(13-9-16)17-5-3-2-4-6-17/h7,11,16-18H,2-6,8-10,12-14H2,1H3
InChIKeyBVMMTHHWACRTSG-UHFFFAOYSA-N
MW320.47 g/mol
LogP6.59
Rot. Bonds4

About 1-[2-(4-cyclohexylcyclohexyl)ethyl]-2,3-difluoro-4-methylbenzene

1-[2-(4-cyclohexylcyclohexyl)ethyl]-2,3-difluoro-4-methylbenzene (PubChem CID 142376936) has the molecular formula C21H30F2 and a molecular weight of 320.47 g/mol. Its IUPAC name is 1-[2-(4-cyclohexylcyclohexyl)ethyl]-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[2-(4-cyclohexylcyclohexyl)ethyl]-2,3-difluoro-4-methylbenzene
PubChem CID142376936
Molecular FormulaC21H30F2
Molecular Weight320.47 g/mol
Exact Mass320.23
IUPAC Name1-[2-(4-cyclohexylcyclohexyl)ethyl]-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(CCC2CCC(C3CCCCC3)CC2)c(F)c1F
InChIInChI=1S/C21H30F2/c1-15-7-11-19(21(23)20(15)22)14-10-16-8-12-18(13-9-16)17-5-3-2-4-6-17/h7,11,16-18H,2-6,8-10,12-14H2,1H3
InChIKeyBVMMTHHWACRTSG-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.47
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-(4-cyclobutylcyclohexyl)ethyl]-4-ethoxy-2,3-difluorobenzene
CID 118119075
1-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-pentylbenzene
CID 135193369
[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl] 4-cyclohexylcyclohexane-1-carboxylate
CID 134387369
2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 158295310
1-[2-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-propylbenzene
CID 154607349
1-[2-(4-cyclohexylcyclohexyl)ethyl]-4-fluorobenzene
CID 57067777
N-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine
CID 147338785
1,2,8-trifluoro-3-methyl-7-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]biphenylene
CID 134465165
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 159331661
1-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]ethyl]-2,3-difluoro-4-methylbenzene
CID 135223734
1-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 58141211
2-(2-cyclohexylethyl)-4-fluoro-1-methylbenzene;2-(2-cyclopentylethyl)-4-fluoro-1-methylbenzene;ethene
CID 145488932

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclohexylcyclohexyl)ethyl]-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-[2-(4-cyclohexylcyclohexyl)ethyl]-2,3-difluoro-4-methylbenzene (CID 142376936) is 1-[2-(4-cyclohexylcyclohexyl)ethyl]-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-[2-(4-cyclohexylcyclohexyl)ethyl]-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-[2-(4-cyclohexylcyclohexyl)ethyl]-2,3-difluoro-4-methylbenzene is Cc1ccc(CCC2CCC(C3CCCCC3)CC2)c(F)c1F.
What is the InChIKey of 1-[2-(4-cyclohexylcyclohexyl)ethyl]-2,3-difluoro-4-methylbenzene?
The InChIKey is BVMMTHHWACRTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F2/c1-15-7-11-19(21(23)20(15)22)14-10-16-8-12-18(13-9-16)17-5-3-2-4-6-17/h7,11,16-18H,2-6,8-10,12-14H2,1H3.
What are the key properties of 1-[2-(4-cyclohexylcyclohexyl)ethyl]-2,3-difluoro-4-methylbenzene?
1-[2-(4-cyclohexylcyclohexyl)ethyl]-2,3-difluoro-4-methylbenzene has a molecular weight of 320.47 g/mol, XLogP of 6.59, 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]-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 142376936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).