1-(3-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride

C7H12ClFO2S — CID 91296314

IUPAC1-(3-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride
SMILESCC(CF)CC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C7H12ClFO2S/c1-6(5-9)4-7(2-3-7)12(8,10)11/h6H,2-5H2,1H3
InChIKeyDUBTVPYHKLPKAQ-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.08
Rot. Bonds4

About 1-(3-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride

1-(3-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride (PubChem CID 91296314) has the molecular formula C7H12ClFO2S and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride
PubChem CID91296314
Molecular FormulaC7H12ClFO2S
Molecular Weight214.69 g/mol
Exact Mass214.02
IUPAC Name1-(3-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride
SMILESCC(CF)CC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C7H12ClFO2S/c1-6(5-9)4-7(2-3-7)12(8,10)11/h6H,2-5H2,1H3
InChIKeyDUBTVPYHKLPKAQ-UHFFFAOYSA-N
XLogP2.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-(3-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride (CID 91296314) is 1-(3-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-(3-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-(3-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride is CC(CF)CC1(S(=O)(=O)Cl)CC1.
What is the InChIKey of 1-(3-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride?
The InChIKey is DUBTVPYHKLPKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClFO2S/c1-6(5-9)4-7(2-3-7)12(8,10)11/h6H,2-5H2,1H3.
What are the key properties of 1-(3-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride?
1-(3-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride has a molecular weight of 214.69 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 91296314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).