2,3-difluoro-1-methyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene

C24H32F2 — CID 68646305

IUPAC2,3-difluoro-1-methyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene
SMILESCCCC1CCC(C2CCC(C#Cc3ccc(C)c(F)c3F)CC2)CC1
InChIInChI=1S/C24H32F2/c1-3-4-18-6-12-20(13-7-18)21-14-8-19(9-15-21)10-16-22-11-5-17(2)23(25)24(22)26/h5,11,18-21H,3-4,6-9,12-15H2,1-2H3
InChIKeyWEIIVZHWOSUMBL-UHFFFAOYSA-N
MW358.52 g/mol
LogP7.04
Rot. Bonds3

About 2,3-difluoro-1-methyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene

2,3-difluoro-1-methyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene (PubChem CID 68646305) has the molecular formula C24H32F2 and a molecular weight of 358.52 g/mol. Its IUPAC name is 2,3-difluoro-1-methyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-methyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene
PubChem CID68646305
Molecular FormulaC24H32F2
Molecular Weight358.52 g/mol
Exact Mass358.25
IUPAC Name2,3-difluoro-1-methyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene
SMILESCCCC1CCC(C2CCC(C#Cc3ccc(C)c(F)c3F)CC2)CC1
InChIInChI=1S/C24H32F2/c1-3-4-18-6-12-20(13-7-18)21-14-8-19(9-15-21)10-16-22-11-5-17(2)23(25)24(22)26/h5,11,18-21H,3-4,6-9,12-15H2,1-2H3
InChIKeyWEIIVZHWOSUMBL-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.52
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2,3-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene
CID 68646551
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethynyl]-2,3-difluoro-4-methoxybenzene
CID 68646201
1-butoxy-2,3-difluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethynyl]benzene
CID 19985174
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
1-ethoxy-2,3-difluoro-4-[2-(4-pentylcyclohexyl)ethynyl]benzene
CID 19983671
1-butoxy-4-[2-(4-butylcyclohexyl)ethynyl]-2,3-difluorobenzene
CID 19984196
1-[3-fluoro-4-[2-(4-propylcyclohexyl)ethynyl]-2-(trifluoromethyl)phenyl]propan-1-one
CID 118287037
2,3-difluoro-1-hexoxy-4-[2-(4-hexylcyclohexyl)ethynyl]benzene
CID 19985025
3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethynyl]-2,6-difluoropyridine
CID 19765466
5-[3-ethyl-4-[2-(4-propylcyclohexyl)ethynyl]phenyl]-1,3-difluoro-2-isothiocyanatobenzene
CID 171752412
1-[2-(4-ethylcyclohexyl)ethynyl]-2,3-difluoro-4-pentoxybenzene
CID 19984583
1-propyl-4-[2-(4-propylcyclohexyl)ethynyl]cyclohexane
CID 145484566

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene?
The IUPAC name of 2,3-difluoro-1-methyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene (CID 68646305) is 2,3-difluoro-1-methyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-methyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene?
The canonical SMILES for 2,3-difluoro-1-methyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene is CCCC1CCC(C2CCC(C#Cc3ccc(C)c(F)c3F)CC2)CC1.
What is the InChIKey of 2,3-difluoro-1-methyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene?
The InChIKey is WEIIVZHWOSUMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2/c1-3-4-18-6-12-20(13-7-18)21-14-8-19(9-15-21)10-16-22-11-5-17(2)23(25)24(22)26/h5,11,18-21H,3-4,6-9,12-15H2,1-2H3.
What are the key properties of 2,3-difluoro-1-methyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene?
2,3-difluoro-1-methyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene has a molecular weight of 358.52 g/mol, XLogP of 7.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene is sourced from PubChem (CID 68646305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).