2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene

C20H30F2 — CID 19103585

IUPAC2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene
SMILESCCCCCc1ccc(C2CCC(CCC)CC2)c(F)c1F
InChIInChI=1S/C20H30F2/c1-3-5-6-8-17-13-14-18(20(22)19(17)21)16-11-9-15(7-4-2)10-12-16/h13-16H,3-12H2,1-2H3
InChIKeyNDRXETWNWAVFFY-UHFFFAOYSA-N
MW308.46 g/mol
LogP6.77
Rot. Bonds7

About 2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene

2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene (PubChem CID 19103585) has the molecular formula C20H30F2 and a molecular weight of 308.46 g/mol. Its IUPAC name is 2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene
PubChem CID19103585
Molecular FormulaC20H30F2
Molecular Weight308.46 g/mol
Exact Mass308.23
IUPAC Name2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene
SMILESCCCCCc1ccc(C2CCC(CCC)CC2)c(F)c1F
InChIInChI=1S/C20H30F2/c1-3-5-6-8-17-13-14-18(20(22)19(17)21)16-11-9-15(7-4-2)10-12-16/h13-16H,3-12H2,1-2H3
InChIKeyNDRXETWNWAVFFY-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.46
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730642
1-[2-[4-(2,3-difluoro-4-pentylphenyl)cyclohexyl]ethyl]-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 71001257
2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
CID 19103623
2,3-difluoro-1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene
CID 157321336
1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene
CID 59874072
1-butyl-4-[4-[2,3-difluoro-4-(4-heptylcyclohexyl)phenyl]phenyl]-2,3-difluorobenzene
CID 67730689
1-[4-[2,3-difluoro-4-[4-(4-heptylcyclohexyl)cyclohexyl]phenyl]phenyl]-2,3-difluoro-4-pentylbenzene
CID 67738242
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-hexylbenzene
CID 67730226
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-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-(2,3-difluoro-4-heptylphenyl)-2,3-difluorobenzene
CID 20621628
1-[(E)-4-chlorobut-3-enyl]-2,3-difluoro-4-(4-octylcyclohexyl)benzene
CID 18656468
2,3-difluoro-1-[4-(4-pentylcyclohex-3-en-1-yl)but-3-enyl]-4-(4-propylcyclohexyl)benzene
CID 77417232

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene (CID 19103585) is 2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene is CCCCCc1ccc(C2CCC(CCC)CC2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene?
The InChIKey is NDRXETWNWAVFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F2/c1-3-5-6-8-17-13-14-18(20(22)19(17)21)16-11-9-15(7-4-2)10-12-16/h13-16H,3-12H2,1-2H3.
What are the key properties of 2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene?
2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene has a molecular weight of 308.46 g/mol, XLogP of 6.77, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 19103585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).