1-[1,1-difluoro-3-(trifluoromethylsulfonyl)propan-2-yl]-4-fluorobenzene

C10H8F6O2S — CID 146169177

IUPAC1-[1,1-difluoro-3-(trifluoromethylsulfonyl)propan-2-yl]-4-fluorobenzene
SMILESO=S(=O)(CC(c1ccc(F)cc1)C(F)F)C(F)(F)F
InChIInChI=1S/C10H8F6O2S/c11-7-3-1-6(2-4-7)8(9(12)13)5-19(17,18)10(14,15)16/h1-4,8-9H,5H2
InChIKeyGIUWUVCCUMEZLD-UHFFFAOYSA-N
MW306.23 g/mol
LogP3.11
Rot. Bonds4

About 1-[1,1-difluoro-3-(trifluoromethylsulfonyl)propan-2-yl]-4-fluorobenzene

1-[1,1-difluoro-3-(trifluoromethylsulfonyl)propan-2-yl]-4-fluorobenzene (PubChem CID 146169177) has the molecular formula C10H8F6O2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 1-[1,1-difluoro-3-(trifluoromethylsulfonyl)propan-2-yl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[1,1-difluoro-3-(trifluoromethylsulfonyl)propan-2-yl]-4-fluorobenzene
PubChem CID146169177
Molecular FormulaC10H8F6O2S
Molecular Weight306.23 g/mol
Exact Mass306.01
IUPAC Name1-[1,1-difluoro-3-(trifluoromethylsulfonyl)propan-2-yl]-4-fluorobenzene
SMILESO=S(=O)(CC(c1ccc(F)cc1)C(F)F)C(F)(F)F
InChIInChI=1S/C10H8F6O2S/c11-7-3-1-6(2-4-7)8(9(12)13)5-19(17,18)10(14,15)16/h1-4,8-9H,5H2
InChIKeyGIUWUVCCUMEZLD-UHFFFAOYSA-N
XLogP3.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1-difluoro-3-(trifluoromethylsulfonyl)propan-2-yl]-4-fluorobenzene?
The IUPAC name of 1-[1,1-difluoro-3-(trifluoromethylsulfonyl)propan-2-yl]-4-fluorobenzene (CID 146169177) is 1-[1,1-difluoro-3-(trifluoromethylsulfonyl)propan-2-yl]-4-fluorobenzene.
What is the SMILES notation for 1-[1,1-difluoro-3-(trifluoromethylsulfonyl)propan-2-yl]-4-fluorobenzene?
The canonical SMILES for 1-[1,1-difluoro-3-(trifluoromethylsulfonyl)propan-2-yl]-4-fluorobenzene is O=S(=O)(CC(c1ccc(F)cc1)C(F)F)C(F)(F)F.
What is the InChIKey of 1-[1,1-difluoro-3-(trifluoromethylsulfonyl)propan-2-yl]-4-fluorobenzene?
The InChIKey is GIUWUVCCUMEZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O2S/c11-7-3-1-6(2-4-7)8(9(12)13)5-19(17,18)10(14,15)16/h1-4,8-9H,5H2.
What are the key properties of 1-[1,1-difluoro-3-(trifluoromethylsulfonyl)propan-2-yl]-4-fluorobenzene?
1-[1,1-difluoro-3-(trifluoromethylsulfonyl)propan-2-yl]-4-fluorobenzene has a molecular weight of 306.23 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-difluoro-3-(trifluoromethylsulfonyl)propan-2-yl]-4-fluorobenzene is sourced from PubChem (CID 146169177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).