[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride

C10H10ClF3O2S — CID 117462268

IUPAC[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride
SMILESCC(C)(F)c1cc(F)c(F)c(CS(=O)(=O)Cl)c1
InChIInChI=1S/C10H10ClF3O2S/c1-10(2,14)7-3-6(5-17(11,15)16)9(13)8(12)4-7/h3-4H,5H2,1-2H3
InChIKeyPXYCTEGMQYWKAW-UHFFFAOYSA-N
MW286.70 g/mol
LogP3.24
Rot. Bonds3

About [2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride

[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride (PubChem CID 117462268) has the molecular formula C10H10ClF3O2S and a molecular weight of 286.70 g/mol. Its IUPAC name is [2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride
PubChem CID117462268
Molecular FormulaC10H10ClF3O2S
Molecular Weight286.70 g/mol
Exact Mass286.00
IUPAC Name[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride
SMILESCC(C)(F)c1cc(F)c(F)c(CS(=O)(=O)Cl)c1
InChIInChI=1S/C10H10ClF3O2S/c1-10(2,14)7-3-6(5-17(11,15)16)9(13)8(12)4-7/h3-4H,5H2,1-2H3
InChIKeyPXYCTEGMQYWKAW-UHFFFAOYSA-N
XLogP3.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.70
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride?
The IUPAC name of [2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride (CID 117462268) is [2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride?
The canonical SMILES for [2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride is CC(C)(F)c1cc(F)c(F)c(CS(=O)(=O)Cl)c1.
What is the InChIKey of [2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride?
The InChIKey is PXYCTEGMQYWKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3O2S/c1-10(2,14)7-3-6(5-17(11,15)16)9(13)8(12)4-7/h3-4H,5H2,1-2H3.
What are the key properties of [2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride?
[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride has a molecular weight of 286.70 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 117462268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).