2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene

C28H43F — CID 122642799

IUPAC2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(C3CCC(C4CCC(C)CC4)CC3)c(F)c2)CC1
InChIInChI=1S/C28H43F/c1-3-4-21-7-11-24(12-8-21)26-17-18-27(28(29)19-26)25-15-13-23(14-16-25)22-9-5-20(2)6-10-22/h17-25H,3-16H2,1-2H3
InChIKeySCZKCWKUJJWXPX-UHFFFAOYSA-N
MW398.65 g/mol
LogP9.00
Rot. Bonds5

About 2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene

2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene (PubChem CID 122642799) has the molecular formula C28H43F and a molecular weight of 398.65 g/mol. Its IUPAC name is 2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
PubChem CID122642799
Molecular FormulaC28H43F
Molecular Weight398.65 g/mol
Exact Mass398.33
IUPAC Name2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(C3CCC(C4CCC(C)CC4)CC3)c(F)c2)CC1
InChIInChI=1S/C28H43F/c1-3-4-21-7-11-24(12-8-21)26-17-18-27(28(29)19-26)25-15-13-23(14-16-25)22-9-5-20(2)6-10-22/h17-25H,3-16H2,1-2H3
InChIKeySCZKCWKUJJWXPX-UHFFFAOYSA-N
XLogP9.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.65
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 54571988
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine
CID 145235108
2-fluoro-4-(4-methoxycyclohexyl)-1-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 139457155
3-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran
CID 118583726
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
2-[3-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]cyclohexyl]phenyl]-5-propyl-1,3-dioxane
CID 70797487
2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]benzene
CID 66824344
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene
CID 21265243
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene (CID 122642799) is 2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(C3CCC(C4CCC(C)CC4)CC3)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene?
The InChIKey is SCZKCWKUJJWXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43F/c1-3-4-21-7-11-24(12-8-21)26-17-18-27(28(29)19-26)25-15-13-23(14-16-25)22-9-5-20(2)6-10-22/h17-25H,3-16H2,1-2H3.
What are the key properties of 2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene?
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene has a molecular weight of 398.65 g/mol, XLogP of 9.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 122642799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).