(5-cyano-2-fluorophenyl)methanesulfonyl fluoride

C8H5F2NO2S — CID 165453498

IUPAC(5-cyano-2-fluorophenyl)methanesulfonyl fluoride
SMILESN#Cc1ccc(F)c(CS(=O)(=O)F)c1
InChIInChI=1S/C8H5F2NO2S/c9-8-2-1-6(4-11)3-7(8)5-14(10,12)13/h1-3H,5H2
InChIKeyLZTRHXADBLARRC-UHFFFAOYSA-N
MW217.20 g/mol
LogP1.50
Rot. Bonds2

About (5-cyano-2-fluorophenyl)methanesulfonyl fluoride

(5-cyano-2-fluorophenyl)methanesulfonyl fluoride (PubChem CID 165453498) has the molecular formula C8H5F2NO2S and a molecular weight of 217.20 g/mol. Its IUPAC name is (5-cyano-2-fluorophenyl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(5-cyano-2-fluorophenyl)methanesulfonyl fluoride
PubChem CID165453498
Molecular FormulaC8H5F2NO2S
Molecular Weight217.20 g/mol
Exact Mass217.00
IUPAC Name(5-cyano-2-fluorophenyl)methanesulfonyl fluoride
SMILESN#Cc1ccc(F)c(CS(=O)(=O)F)c1
InChIInChI=1S/C8H5F2NO2S/c9-8-2-1-6(4-11)3-7(8)5-14(10,12)13/h1-3H,5H2
InChIKeyLZTRHXADBLARRC-UHFFFAOYSA-N
XLogP1.50
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-(thiophen-2-ylsulfonylmethyl)benzonitrile
CID 64692827
3-[(3-bromophenyl)sulfonylmethyl]-4-fluorobenzonitrile
CID 64692867
2-[(5-cyano-2-fluorophenyl)methylsulfonyl]-N-methylacetamide
CID 114232259
2-[1-[(5-cyano-2-fluorophenyl)methylsulfonylmethyl]cyclopropyl]acetic acid
CID 65443313
4-fluoro-3-[(2-methyloxolan-3-yl)sulfonylmethyl]benzonitrile
CID 107766631
N-[2-[(5-cyano-2-fluorophenyl)methylamino]ethyl]methanesulfonamide
CID 43546043
3-(2-amino-2,2-difluoroethyl)-4-fluorobenzonitrile
CID 170438138
5-cyano-2-fluorobenzenesulfonamide
CID 67530919
1-(5-cyano-2-fluorophenyl)-N-[(3-nitrophenyl)methyl]methanesulfonamide
CID 75437668
ethyl 2-(5-cyano-2-fluorophenyl)acetate
CID 134652042
3-(benzylsulfinylmethyl)-4-fluorobenzonitrile
CID 64690053
4-fluoro-3-[(methoxyamino)methyl]benzonitrile
CID 60705848

Frequently Asked Questions

What is the IUPAC name of (5-cyano-2-fluorophenyl)methanesulfonyl fluoride?
The IUPAC name of (5-cyano-2-fluorophenyl)methanesulfonyl fluoride (CID 165453498) is (5-cyano-2-fluorophenyl)methanesulfonyl fluoride.
What is the SMILES notation for (5-cyano-2-fluorophenyl)methanesulfonyl fluoride?
The canonical SMILES for (5-cyano-2-fluorophenyl)methanesulfonyl fluoride is N#Cc1ccc(F)c(CS(=O)(=O)F)c1.
What is the InChIKey of (5-cyano-2-fluorophenyl)methanesulfonyl fluoride?
The InChIKey is LZTRHXADBLARRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO2S/c9-8-2-1-6(4-11)3-7(8)5-14(10,12)13/h1-3H,5H2.
What are the key properties of (5-cyano-2-fluorophenyl)methanesulfonyl fluoride?
(5-cyano-2-fluorophenyl)methanesulfonyl fluoride has a molecular weight of 217.20 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyano-2-fluorophenyl)methanesulfonyl fluoride is sourced from PubChem (CID 165453498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).