(2,5-difluorophenyl)methanesulfonyl fluoride

C7H5F3O2S — CID 138392013

IUPAC(2,5-difluorophenyl)methanesulfonyl fluoride
SMILESO=S(=O)(F)Cc1cc(F)ccc1F
InChIInChI=1S/C7H5F3O2S/c8-6-1-2-7(9)5(3-6)4-13(10,11)12/h1-3H,4H2
InChIKeyRYMNLVNHEJPUAM-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.76
Rot. Bonds2

About (2,5-difluorophenyl)methanesulfonyl fluoride

(2,5-difluorophenyl)methanesulfonyl fluoride (PubChem CID 138392013) has the molecular formula C7H5F3O2S and a molecular weight of 210.18 g/mol. Its IUPAC name is (2,5-difluorophenyl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(2,5-difluorophenyl)methanesulfonyl fluoride
PubChem CID138392013
Molecular FormulaC7H5F3O2S
Molecular Weight210.18 g/mol
Exact Mass210.00
IUPAC Name(2,5-difluorophenyl)methanesulfonyl fluoride
SMILESO=S(=O)(F)Cc1cc(F)ccc1F
InChIInChI=1S/C7H5F3O2S/c8-6-1-2-7(9)5(3-6)4-13(10,11)12/h1-3H,4H2
InChIKeyRYMNLVNHEJPUAM-UHFFFAOYSA-N
XLogP1.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-amine
CID 81189091
1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-ol
CID 167861817
2-ethyl-1,4-difluorobenzene
CID 23202513
4-[(2,5-difluorophenyl)methylsulfonyl]benzoic acid
CID 60972281
2-[(2,5-difluorophenyl)methylsulfonyl]-3-methylbutanoic acid
CID 105354520
(2,5-difluorophenyl)methylazanium
CID 6951689
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780997
2-[(2,5-difluorophenyl)methylsulfonyl]-6-methylaniline
CID 81187654
2-(2,5-difluorophenyl)acetamide
CID 21245498
2-(2,5-difluorophenyl)acetate
CID 6951702
(5-chloro-2-fluorophenyl)methanesulfonyl chloride
CID 53401491
1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 63796032

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)methanesulfonyl fluoride?
The IUPAC name of (2,5-difluorophenyl)methanesulfonyl fluoride (CID 138392013) is (2,5-difluorophenyl)methanesulfonyl fluoride.
What is the SMILES notation for (2,5-difluorophenyl)methanesulfonyl fluoride?
The canonical SMILES for (2,5-difluorophenyl)methanesulfonyl fluoride is O=S(=O)(F)Cc1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)methanesulfonyl fluoride?
The InChIKey is RYMNLVNHEJPUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O2S/c8-6-1-2-7(9)5(3-6)4-13(10,11)12/h1-3H,4H2.
What are the key properties of (2,5-difluorophenyl)methanesulfonyl fluoride?
(2,5-difluorophenyl)methanesulfonyl fluoride has a molecular weight of 210.18 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)methanesulfonyl fluoride is sourced from PubChem (CID 138392013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).