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

C18H26F2 — CID 19103623

IUPAC2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
SMILESCCCc1ccc(C2CCC(CCC)CC2)c(F)c1F
InChIInChI=1S/C18H26F2/c1-3-5-13-7-9-14(10-8-13)16-12-11-15(6-4-2)17(19)18(16)20/h11-14H,3-10H2,1-2H3
InChIKeySVHLINBNIVOWJT-UHFFFAOYSA-N
MW280.40 g/mol
LogP5.99
Rot. Bonds5

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

2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene (PubChem CID 19103623) has the molecular formula C18H26F2 and a molecular weight of 280.40 g/mol. Its IUPAC name is 2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
PubChem CID19103623
Molecular FormulaC18H26F2
Molecular Weight280.40 g/mol
Exact Mass280.20
IUPAC Name2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
SMILESCCCc1ccc(C2CCC(CCC)CC2)c(F)c1F
InChIInChI=1S/C18H26F2/c1-3-5-13-7-9-14(10-8-13)16-12-11-15(6-4-2)17(19)18(16)20/h11-14H,3-10H2,1-2H3
InChIKeySVHLINBNIVOWJT-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.40
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-difluoro-1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene
CID 157321336
2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene
CID 19103585
1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene
CID 59874072
1-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]ethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
CID 121476301
1-[4-[4-[2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethyl]cyclohexyl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 58453624
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-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
2-[4-[4-[4-[2-[4-(2,3-difluoro-4-propylphenyl)-2,3-difluorophenyl]ethyl]cyclohexyl]cyclohexyl]-2,3-difluorophenyl]oxirane
CID 88894034
1-[4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 67738107
1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene
CID 58141128
2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065276

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene (CID 19103623) is 2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene is CCCc1ccc(C2CCC(CCC)CC2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene?
The InChIKey is SVHLINBNIVOWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2/c1-3-5-13-7-9-14(10-8-13)16-12-11-15(6-4-2)17(19)18(16)20/h11-14H,3-10H2,1-2H3.
What are the key properties of 2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene?
2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene has a molecular weight of 280.40 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 19103623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).