1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene

C20H30F2 — CID 139691903

IUPAC1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene
SMILESCCCCCC1CCC(C(C)Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C20H30F2/c1-3-4-5-6-16-7-9-18(10-8-16)15(2)11-17-12-19(21)14-20(22)13-17/h12-16,18H,3-11H2,1-2H3
InChIKeyVEEWUIDAYCPNNP-UHFFFAOYSA-N
MW308.46 g/mol
LogP6.53
Rot. Bonds7

About 1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene

1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene (PubChem CID 139691903) has the molecular formula C20H30F2 and a molecular weight of 308.46 g/mol. Its IUPAC name is 1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene
PubChem CID139691903
Molecular FormulaC20H30F2
Molecular Weight308.46 g/mol
Exact Mass308.23
IUPAC Name1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene
SMILESCCCCCC1CCC(C(C)Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C20H30F2/c1-3-4-5-6-16-7-9-18(10-8-16)15(2)11-17-12-19(21)14-20(22)13-17/h12-16,18H,3-11H2,1-2H3
InChIKeyVEEWUIDAYCPNNP-UHFFFAOYSA-N
XLogP6.53
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 ≤ 56.53
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

1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene
CID 139708846
1-ethyl-3-[(2S)-2-(4-hexylcyclohexyl)propyl]benzene
CID 143682920
1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
CID 139691879
2-fluoro-1-(3-fluorophenyl)-4-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139708948
1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139708745
4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene
CID 139708761
4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene
CID 139708741
4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzonitrile
CID 139708880
4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene
CID 139708964
1-[2-(4-butylcyclohexyl)propyl]-4-ethoxybenzene
CID 139691896
1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene
CID 139710805
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
CID 67697847

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene?
The IUPAC name of 1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene (CID 139691903) is 1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene.
What is the SMILES notation for 1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene?
The canonical SMILES for 1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene is CCCCCC1CCC(C(C)Cc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene?
The InChIKey is VEEWUIDAYCPNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F2/c1-3-4-5-6-16-7-9-18(10-8-16)15(2)11-17-12-19(21)14-20(22)13-17/h12-16,18H,3-11H2,1-2H3.
What are the key properties of 1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene?
1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene has a molecular weight of 308.46 g/mol, XLogP of 6.53, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene is sourced from PubChem (CID 139691903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).