4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene

C22H32F2 — CID 154010858

IUPAC4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
SMILESCC(C)(C)C1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H32F2/c1-22(2,3)19-11-8-16(9-12-19)15-4-6-17(7-5-15)18-10-13-20(23)21(24)14-18/h10,13-17,19H,4-9,11-12H2,1-3H3
InChIKeyMHCZRTTWRHMOGB-UHFFFAOYSA-N
MW334.49 g/mol
LogP7.09
Rot. Bonds2

About 4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene

4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene (PubChem CID 154010858) has the molecular formula C22H32F2 and a molecular weight of 334.49 g/mol. Its IUPAC name is 4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
PubChem CID154010858
Molecular FormulaC22H32F2
Molecular Weight334.49 g/mol
Exact Mass334.25
IUPAC Name4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
SMILESCC(C)(C)C1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H32F2/c1-22(2,3)19-11-8-16(9-12-19)15-4-6-17(7-5-15)18-10-13-20(23)21(24)14-18/h10,13-17,19H,4-9,11-12H2,1-3H3
InChIKeyMHCZRTTWRHMOGB-UHFFFAOYSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.49
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene
CID 144902495
1,2-difluoro-4-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]benzene
CID 67843257
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
2-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]ethyl-trimethylsilane
CID 20683498
1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene
CID 19892612
4-[4-[4-(2,2-dibromocyclopropyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 121400832
1-(3,4-difluorophenyl)-4-(4-ethylcyclohexyl)cycloheptane
CID 130256431
2-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]ethyl-ethylsilane
CID 137327778
1,2-difluoro-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]benzene
CID 54158717
1,2-difluoro-4-(4-methoxycyclohexyl)benzene
CID 144809444
4-cyclopropyl-1,2-difluorobenzene;formic acid
CID 144529056
4-[4-[4-(3,6-dimethyloctyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 144971677

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene?
The IUPAC name of 4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene (CID 154010858) is 4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene is CC(C)(C)C1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of 4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene?
The InChIKey is MHCZRTTWRHMOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F2/c1-22(2,3)19-11-8-16(9-12-19)15-4-6-17(7-5-15)18-10-13-20(23)21(24)14-18/h10,13-17,19H,4-9,11-12H2,1-3H3.
What are the key properties of 4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene?
4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene has a molecular weight of 334.49 g/mol, XLogP of 7.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene is sourced from PubChem (CID 154010858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).