2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene

C18H20F2 — CID 58823318

IUPAC2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(-c2ccc(C(C)C)c(F)c2)cc1F
InChIInChI=1S/C18H20F2/c1-11(2)15-7-5-13(9-17(15)19)14-6-8-16(12(3)4)18(20)10-14/h5-12H,1-4H3
InChIKeyCPEFAQOHKDBWBJ-UHFFFAOYSA-N
MW274.35 g/mol
LogP5.88
Rot. Bonds3

About 2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene

2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene (PubChem CID 58823318) has the molecular formula C18H20F2 and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene.

Molecular Properties

Compound Name2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene
PubChem CID58823318
Molecular FormulaC18H20F2
Molecular Weight274.35 g/mol
Exact Mass274.15
IUPAC Name2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(-c2ccc(C(C)C)c(F)c2)cc1F
InChIInChI=1S/C18H20F2/c1-11(2)15-7-5-13(9-17(15)19)14-6-8-16(12(3)4)18(20)10-14/h5-12H,1-4H3
InChIKeyCPEFAQOHKDBWBJ-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.35
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene
CID 139295380
(3-fluoro-4-propan-2-ylphenyl)-trimethylsilane
CID 59596566
(1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol
CID 171600588
3-fluoro-N,N-dimethyl-4-propan-2-ylaniline
CID 83381571
5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole
CID 171760423
1-fluoro-4-phenyl-2-propan-2-ylbenzene
CID 134581183
2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-ylbenzene
CID 169111339
4-chloro-2-fluoro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;ethane
CID 166121933
1-cyclopropyl-4-(3-fluoro-4-propan-2-ylphenyl)triazole
CID 166088183
6-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-2-methylindazole
CID 171760609
4-(4-tert-butylphenyl)-1-fluoro-2-propan-2-ylbenzene
CID 165380601

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene?
The IUPAC name of 2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene (CID 58823318) is 2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene.
What is the SMILES notation for 2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene?
The canonical SMILES for 2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene is CC(C)c1ccc(-c2ccc(C(C)C)c(F)c2)cc1F.
What is the InChIKey of 2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene?
The InChIKey is CPEFAQOHKDBWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2/c1-11(2)15-7-5-13(9-17(15)19)14-6-8-16(12(3)4)18(20)10-14/h5-12H,1-4H3.
What are the key properties of 2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene?
2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene has a molecular weight of 274.35 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene is sourced from PubChem (CID 58823318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).