1-(2-ethyl-4,4,4-trifluorobutyl)cyclopropane-1-sulfonyl chloride

C9H14ClF3O2S — CID 165495702

IUPAC1-(2-ethyl-4,4,4-trifluorobutyl)cyclopropane-1-sulfonyl chloride
SMILESCCC(CC(F)(F)F)CC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C9H14ClF3O2S/c1-2-7(6-9(11,12)13)5-8(3-4-8)16(10,14)15/h7H,2-6H2,1H3
InChIKeySDCCSGGIMULWEN-UHFFFAOYSA-N
MW278.72 g/mol
LogP3.46
Rot. Bonds5

About 1-(2-ethyl-4,4,4-trifluorobutyl)cyclopropane-1-sulfonyl chloride

1-(2-ethyl-4,4,4-trifluorobutyl)cyclopropane-1-sulfonyl chloride (PubChem CID 165495702) has the molecular formula C9H14ClF3O2S and a molecular weight of 278.72 g/mol. Its IUPAC name is 1-(2-ethyl-4,4,4-trifluorobutyl)cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-ethyl-4,4,4-trifluorobutyl)cyclopropane-1-sulfonyl chloride
PubChem CID165495702
Molecular FormulaC9H14ClF3O2S
Molecular Weight278.72 g/mol
Exact Mass278.04
IUPAC Name1-(2-ethyl-4,4,4-trifluorobutyl)cyclopropane-1-sulfonyl chloride
SMILESCCC(CC(F)(F)F)CC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C9H14ClF3O2S/c1-2-7(6-9(11,12)13)5-8(3-4-8)16(10,14)15/h7H,2-6H2,1H3
InChIKeySDCCSGGIMULWEN-UHFFFAOYSA-N
XLogP3.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4,4,4-trifluorobutyl)cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-(2-ethyl-4,4,4-trifluorobutyl)cyclopropane-1-sulfonyl chloride (CID 165495702) is 1-(2-ethyl-4,4,4-trifluorobutyl)cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-(2-ethyl-4,4,4-trifluorobutyl)cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-(2-ethyl-4,4,4-trifluorobutyl)cyclopropane-1-sulfonyl chloride is CCC(CC(F)(F)F)CC1(S(=O)(=O)Cl)CC1.
What is the InChIKey of 1-(2-ethyl-4,4,4-trifluorobutyl)cyclopropane-1-sulfonyl chloride?
The InChIKey is SDCCSGGIMULWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClF3O2S/c1-2-7(6-9(11,12)13)5-8(3-4-8)16(10,14)15/h7H,2-6H2,1H3.
What are the key properties of 1-(2-ethyl-4,4,4-trifluorobutyl)cyclopropane-1-sulfonyl chloride?
1-(2-ethyl-4,4,4-trifluorobutyl)cyclopropane-1-sulfonyl chloride has a molecular weight of 278.72 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4,4,4-trifluorobutyl)cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 165495702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).