2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene

C15H12F4 — CID 90465421

IUPAC2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene
SMILESCC(C)(c1cc(F)ccc1F)c1cc(F)ccc1F
InChIInChI=1S/C15H12F4/c1-15(2,11-7-9(16)3-5-13(11)18)12-8-10(17)4-6-14(12)19/h3-8H,1-2H3
InChIKeyRMHQYHFYFGNPOA-UHFFFAOYSA-N
MW268.25 g/mol
LogP4.57
Rot. Bonds2

About 2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene

2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene (PubChem CID 90465421) has the molecular formula C15H12F4 and a molecular weight of 268.25 g/mol. Its IUPAC name is 2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene.

Molecular Properties

Compound Name2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene
PubChem CID90465421
Molecular FormulaC15H12F4
Molecular Weight268.25 g/mol
Exact Mass268.09
IUPAC Name2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene
SMILESCC(C)(c1cc(F)ccc1F)c1cc(F)ccc1F
InChIInChI=1S/C15H12F4/c1-15(2,11-7-9(16)3-5-13(11)18)12-8-10(17)4-6-14(12)19/h3-8H,1-2H3
InChIKeyRMHQYHFYFGNPOA-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol
CID 115401141
2-(2,5-difluorophenyl)-2-fluoropropan-1-ol
CID 105425213
1-amino-2-(2,5-difluorophenyl)propan-2-ol
CID 62773185
2-amino-2-(2,5-difluorophenyl)propanenitrile
CID 16785195
bis(2,5-difluorophenyl)methanedisulfonic acid
CID 90187825
1,4-difluoro-2-(1-fluoro-1-isocyanatoethyl)benzene
CID 105453291
2-(2,5-difluorophenyl)-2-methylbutanoyl chloride
CID 117047827
N-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 115263650
4-(2,5-difluorophenyl)heptan-4-ol
CID 114866152
2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene
CID 143135341
2-(2,5-difluorophenyl)-N',2-dimethylpropanehydrazide
CID 116847169
4-amino-4-(2,5-difluorophenyl)pentan-1-ol
CID 116861706

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene?
The IUPAC name of 2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene (CID 90465421) is 2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene.
What is the SMILES notation for 2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene?
The canonical SMILES for 2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene is CC(C)(c1cc(F)ccc1F)c1cc(F)ccc1F.
What is the InChIKey of 2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene?
The InChIKey is RMHQYHFYFGNPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4/c1-15(2,11-7-9(16)3-5-13(11)18)12-8-10(17)4-6-14(12)19/h3-8H,1-2H3.
What are the key properties of 2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene?
2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene has a molecular weight of 268.25 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene is sourced from PubChem (CID 90465421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).