cumene;2,4-difluoro-1-propan-2-ylbenzene

C18H22F2 — CID 156717467

IUPACcumene;2,4-difluoro-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(F)cc1F.CC(C)c1ccccc1
InChIInChI=1S/C9H10F2.C9H12/c1-6(2)8-4-3-7(10)5-9(8)11;1-8(2)9-6-4-3-5-7-9/h3-6H,1-2H3;3-8H,1-2H3
InChIKeyQQHXBIWXJSOHNV-UHFFFAOYSA-N
MW276.37 g/mol
LogP5.90
Rot. Bonds2

About cumene;2,4-difluoro-1-propan-2-ylbenzene

cumene;2,4-difluoro-1-propan-2-ylbenzene (PubChem CID 156717467) has the molecular formula C18H22F2 and a molecular weight of 276.37 g/mol. Its IUPAC name is cumene;2,4-difluoro-1-propan-2-ylbenzene.

Molecular Properties

Compound Namecumene;2,4-difluoro-1-propan-2-ylbenzene
PubChem CID156717467
Molecular FormulaC18H22F2
Molecular Weight276.37 g/mol
Exact Mass276.17
IUPAC Namecumene;2,4-difluoro-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(F)cc1F.CC(C)c1ccccc1
InChIInChI=1S/C9H10F2.C9H12/c1-6(2)8-4-3-7(10)5-9(8)11;1-8(2)9-6-4-3-5-7-9/h3-6H,1-2H3;3-8H,1-2H3
InChIKeyQQHXBIWXJSOHNV-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.37
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-chloro-2-fluoro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;ethane
CID 166121933
(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
CID 78956119
1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
CID 142619268
1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine
CID 43481546
cumene;1-fluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene
CID 159517026
N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 43680852
4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene
CID 167660923
cumene
CID 161227923
benzene;cumene
CID 157215889
propan-2-ylcyclodecapentaene
CID 123508933
cumene;2,4-dichloro-1-propan-2-ylbenzene
CID 162264964
1-(2,4-difluorophenyl)-2-(1-phenylethylamino)ethanol
CID 60766380

Frequently Asked Questions

What is the IUPAC name of cumene;2,4-difluoro-1-propan-2-ylbenzene?
The IUPAC name of cumene;2,4-difluoro-1-propan-2-ylbenzene (CID 156717467) is cumene;2,4-difluoro-1-propan-2-ylbenzene.
What is the SMILES notation for cumene;2,4-difluoro-1-propan-2-ylbenzene?
The canonical SMILES for cumene;2,4-difluoro-1-propan-2-ylbenzene is CC(C)c1ccc(F)cc1F.CC(C)c1ccccc1.
What is the InChIKey of cumene;2,4-difluoro-1-propan-2-ylbenzene?
The InChIKey is QQHXBIWXJSOHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2.C9H12/c1-6(2)8-4-3-7(10)5-9(8)11;1-8(2)9-6-4-3-5-7-9/h3-6H,1-2H3;3-8H,1-2H3.
What are the key properties of cumene;2,4-difluoro-1-propan-2-ylbenzene?
cumene;2,4-difluoro-1-propan-2-ylbenzene has a molecular weight of 276.37 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2,4-difluoro-1-propan-2-ylbenzene is sourced from PubChem (CID 156717467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).