1-[2-(2,2-difluorocyclopropyl)ethyl]cyclopropane-1-sulfonyl chloride

C8H11ClF2O2S — CID 165495030

IUPAC1-[2-(2,2-difluorocyclopropyl)ethyl]cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(CCC2CC2(F)F)CC1
InChIInChI=1S/C8H11ClF2O2S/c9-14(12,13)7(3-4-7)2-1-6-5-8(6,10)11/h6H,1-5H2
InChIKeyNAHDLMAWWNZETH-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.52
Rot. Bonds4

About 1-[2-(2,2-difluorocyclopropyl)ethyl]cyclopropane-1-sulfonyl chloride

1-[2-(2,2-difluorocyclopropyl)ethyl]cyclopropane-1-sulfonyl chloride (PubChem CID 165495030) has the molecular formula C8H11ClF2O2S and a molecular weight of 244.69 g/mol. Its IUPAC name is 1-[2-(2,2-difluorocyclopropyl)ethyl]cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-[2-(2,2-difluorocyclopropyl)ethyl]cyclopropane-1-sulfonyl chloride
PubChem CID165495030
Molecular FormulaC8H11ClF2O2S
Molecular Weight244.69 g/mol
Exact Mass244.01
IUPAC Name1-[2-(2,2-difluorocyclopropyl)ethyl]cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(CCC2CC2(F)F)CC1
InChIInChI=1S/C8H11ClF2O2S/c9-14(12,13)7(3-4-7)2-1-6-5-8(6,10)11/h6H,1-5H2
InChIKeyNAHDLMAWWNZETH-UHFFFAOYSA-N
XLogP2.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluorocyclopropyl)ethyl]cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-[2-(2,2-difluorocyclopropyl)ethyl]cyclopropane-1-sulfonyl chloride (CID 165495030) is 1-[2-(2,2-difluorocyclopropyl)ethyl]cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-[2-(2,2-difluorocyclopropyl)ethyl]cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-[2-(2,2-difluorocyclopropyl)ethyl]cyclopropane-1-sulfonyl chloride is O=S(=O)(Cl)C1(CCC2CC2(F)F)CC1.
What is the InChIKey of 1-[2-(2,2-difluorocyclopropyl)ethyl]cyclopropane-1-sulfonyl chloride?
The InChIKey is NAHDLMAWWNZETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF2O2S/c9-14(12,13)7(3-4-7)2-1-6-5-8(6,10)11/h6H,1-5H2.
What are the key properties of 1-[2-(2,2-difluorocyclopropyl)ethyl]cyclopropane-1-sulfonyl chloride?
1-[2-(2,2-difluorocyclopropyl)ethyl]cyclopropane-1-sulfonyl chloride has a molecular weight of 244.69 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluorocyclopropyl)ethyl]cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 165495030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).