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

C32H38F2 — CID 139711183

IUPAC1,3-difluoro-5-[1-(2-pentylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene
SMILESCCCCCC1CCCCC1C(CC)c1cc(F)c(-c2ccc(-c3ccccc3)cc2)c(F)c1
InChIInChI=1S/C32H38F2/c1-3-5-7-14-25-15-10-11-16-29(25)28(4-2)27-21-30(33)32(31(34)22-27)26-19-17-24(18-20-26)23-12-8-6-9-13-23/h6,8-9,12-13,17-22,25,28-29H,3-5,7,10-11,14-16H2,1-2H3
InChIKeyVVOQLBQZFWQZDV-UHFFFAOYSA-N
MW460.65 g/mol
LogP10.18
Rot. Bonds9

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

1,3-difluoro-5-[1-(2-pentylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene (PubChem CID 139711183) has the molecular formula C32H38F2 and a molecular weight of 460.65 g/mol. Its IUPAC name is 1,3-difluoro-5-[1-(2-pentylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-5-[1-(2-pentylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene
PubChem CID139711183
Molecular FormulaC32H38F2
Molecular Weight460.65 g/mol
Exact Mass460.29
IUPAC Name1,3-difluoro-5-[1-(2-pentylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene
SMILESCCCCCC1CCCCC1C(CC)c1cc(F)c(-c2ccc(-c3ccccc3)cc2)c(F)c1
InChIInChI=1S/C32H38F2/c1-3-5-7-14-25-15-10-11-16-29(25)28(4-2)27-21-30(33)32(31(34)22-27)26-19-17-24(18-20-26)23-12-8-6-9-13-23/h6,8-9,12-13,17-22,25,28-29H,3-5,7,10-11,14-16H2,1-2H3
InChIKeyVVOQLBQZFWQZDV-UHFFFAOYSA-N
XLogP10.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.65
LogP ≤ 510.18
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

5-[1-(2-butylcyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene
CID 139711149
2-methoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene
CID 139711110
2-ethoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene
CID 139711157
1-[1-(2-butylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene
CID 139711116
5-[1-(2-butyl-2-fluorocyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene
CID 139711127
1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene
CID 139711196
1-[1-(2-ethylcyclohexyl)-3-fluoropropyl]-4-(4-phenylphenyl)benzene
CID 139711152
1-fluoro-4-[4-[3-(2-heptylcyclohexyl)propoxy]phenyl]benzene
CID 57204959
1,2,4,5-tetrafluoro-3-[1-(1-methoxy-2-pentylcyclohexyl)propyl]-6-(4-phenylphenyl)benzene
CID 139711141
1-phenyl-4-[2-[1-(2-propylcyclohexyl)ethyl]phenyl]benzene
CID 139711027
ethane;ethylbenzene;1-ethyl-4-fluorobenzene;1-hexyl-2-methylcycloheptane
CID 142139077
1,2,4,5-tetrafluoro-3-[1-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]propyl]-6-(4-phenylphenyl)benzene
CID 139711135

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[1-(2-pentylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene?
The IUPAC name of 1,3-difluoro-5-[1-(2-pentylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene (CID 139711183) is 1,3-difluoro-5-[1-(2-pentylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene.
What is the SMILES notation for 1,3-difluoro-5-[1-(2-pentylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene?
The canonical SMILES for 1,3-difluoro-5-[1-(2-pentylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene is CCCCCC1CCCCC1C(CC)c1cc(F)c(-c2ccc(-c3ccccc3)cc2)c(F)c1.
What is the InChIKey of 1,3-difluoro-5-[1-(2-pentylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene?
The InChIKey is VVOQLBQZFWQZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F2/c1-3-5-7-14-25-15-10-11-16-29(25)28(4-2)27-21-30(33)32(31(34)22-27)26-19-17-24(18-20-26)23-12-8-6-9-13-23/h6,8-9,12-13,17-22,25,28-29H,3-5,7,10-11,14-16H2,1-2H3.
What are the key properties of 1,3-difluoro-5-[1-(2-pentylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene?
1,3-difluoro-5-[1-(2-pentylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene has a molecular weight of 460.65 g/mol, XLogP of 10.18, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-[1-(2-pentylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene is sourced from PubChem (CID 139711183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).