1,4-difluoro-2-propan-2-yl-5-[5-(4-propan-2-ylphenyl)hexan-2-yl]benzene

C24H32F2 — CID 138643141

IUPAC1,4-difluoro-2-propan-2-yl-5-[5-(4-propan-2-ylphenyl)hexan-2-yl]benzene
SMILESCC(C)c1ccc(C(C)CCC(C)c2cc(F)c(C(C)C)cc2F)cc1
InChIInChI=1S/C24H32F2/c1-15(2)19-9-11-20(12-10-19)17(5)7-8-18(6)22-14-23(25)21(16(3)4)13-24(22)26/h9-18H,7-8H2,1-6H3
InChIKeyPUVLJOBQVBJLLA-UHFFFAOYSA-N
MW358.52 g/mol
LogP7.90
Rot. Bonds7

About 1,4-difluoro-2-propan-2-yl-5-[5-(4-propan-2-ylphenyl)hexan-2-yl]benzene

1,4-difluoro-2-propan-2-yl-5-[5-(4-propan-2-ylphenyl)hexan-2-yl]benzene (PubChem CID 138643141) has the molecular formula C24H32F2 and a molecular weight of 358.52 g/mol. Its IUPAC name is 1,4-difluoro-2-propan-2-yl-5-[5-(4-propan-2-ylphenyl)hexan-2-yl]benzene.

Molecular Properties

Compound Name1,4-difluoro-2-propan-2-yl-5-[5-(4-propan-2-ylphenyl)hexan-2-yl]benzene
PubChem CID138643141
Molecular FormulaC24H32F2
Molecular Weight358.52 g/mol
Exact Mass358.25
IUPAC Name1,4-difluoro-2-propan-2-yl-5-[5-(4-propan-2-ylphenyl)hexan-2-yl]benzene
SMILESCC(C)c1ccc(C(C)CCC(C)c2cc(F)c(C(C)C)cc2F)cc1
InChIInChI=1S/C24H32F2/c1-15(2)19-9-11-20(12-10-19)17(5)7-8-18(6)22-14-23(25)21(16(3)4)13-24(22)26/h9-18H,7-8H2,1-6H3
InChIKeyPUVLJOBQVBJLLA-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.52
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-[5-(2-chloro-4-propan-2-ylphenyl)hexan-2-yl]-4-fluoro-5-propan-2-ylbenzene
CID 155383409
1-[5-(2,6-difluoro-4-propan-2-ylphenyl)hexan-2-yl]-2,5-difluoro-4-propan-2-ylbenzene
CID 139298385
1,2-dichloro-4-[5-(4-chloro-2-fluorophenyl)hexan-2-yl]benzene
CID 170404987
5-(4-propan-2-ylphenyl)hexan-2-amine
CID 83939090
1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene
CID 157344584
1-hexan-2-yl-4-propan-2-ylbenzene
CID 139769010
4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene
CID 139295380
3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117320871
3-fluoro-4-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile
CID 166089118
6-(3,4-difluorophenyl)heptan-3-amine
CID 83936159
1-bromo-2,5-difluoro-4-propan-2-ylbenzene
CID 58333577
cumene;2,4-difluoro-1-propan-2-ylbenzene
CID 156717467

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-propan-2-yl-5-[5-(4-propan-2-ylphenyl)hexan-2-yl]benzene?
The IUPAC name of 1,4-difluoro-2-propan-2-yl-5-[5-(4-propan-2-ylphenyl)hexan-2-yl]benzene (CID 138643141) is 1,4-difluoro-2-propan-2-yl-5-[5-(4-propan-2-ylphenyl)hexan-2-yl]benzene.
What is the SMILES notation for 1,4-difluoro-2-propan-2-yl-5-[5-(4-propan-2-ylphenyl)hexan-2-yl]benzene?
The canonical SMILES for 1,4-difluoro-2-propan-2-yl-5-[5-(4-propan-2-ylphenyl)hexan-2-yl]benzene is CC(C)c1ccc(C(C)CCC(C)c2cc(F)c(C(C)C)cc2F)cc1.
What is the InChIKey of 1,4-difluoro-2-propan-2-yl-5-[5-(4-propan-2-ylphenyl)hexan-2-yl]benzene?
The InChIKey is PUVLJOBQVBJLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2/c1-15(2)19-9-11-20(12-10-19)17(5)7-8-18(6)22-14-23(25)21(16(3)4)13-24(22)26/h9-18H,7-8H2,1-6H3.
What are the key properties of 1,4-difluoro-2-propan-2-yl-5-[5-(4-propan-2-ylphenyl)hexan-2-yl]benzene?
1,4-difluoro-2-propan-2-yl-5-[5-(4-propan-2-ylphenyl)hexan-2-yl]benzene has a molecular weight of 358.52 g/mol, XLogP of 7.90, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-propan-2-yl-5-[5-(4-propan-2-ylphenyl)hexan-2-yl]benzene is sourced from PubChem (CID 138643141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).