1,1,1-trifluoro-6-hydroxyhexane-3-sulfonyl chloride

C6H10ClF3O3S — CID 138980152

IUPAC1,1,1-trifluoro-6-hydroxyhexane-3-sulfonyl chloride
SMILESO=S(=O)(Cl)C(CCCO)CC(F)(F)F
InChIInChI=1S/C6H10ClF3O3S/c7-14(12,13)5(2-1-3-11)4-6(8,9)10/h5,11H,1-4H2
InChIKeyHBVMWJYLNFZDGB-UHFFFAOYSA-N
MW254.66 g/mol
LogP1.65
Rot. Bonds5

About 1,1,1-trifluoro-6-hydroxyhexane-3-sulfonyl chloride

1,1,1-trifluoro-6-hydroxyhexane-3-sulfonyl chloride (PubChem CID 138980152) has the molecular formula C6H10ClF3O3S and a molecular weight of 254.66 g/mol. Its IUPAC name is 1,1,1-trifluoro-6-hydroxyhexane-3-sulfonyl chloride.

Molecular Properties

Compound Name1,1,1-trifluoro-6-hydroxyhexane-3-sulfonyl chloride
PubChem CID138980152
Molecular FormulaC6H10ClF3O3S
Molecular Weight254.66 g/mol
Exact Mass254.00
IUPAC Name1,1,1-trifluoro-6-hydroxyhexane-3-sulfonyl chloride
SMILESO=S(=O)(Cl)C(CCCO)CC(F)(F)F
InChIInChI=1S/C6H10ClF3O3S/c7-14(12,13)5(2-1-3-11)4-6(8,9)10/h5,11H,1-4H2
InChIKeyHBVMWJYLNFZDGB-UHFFFAOYSA-N
XLogP1.65
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.66
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-6-hydroxyhexane-3-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,11,11,11-hexafluoroundecane-3-sulfonic acid
CID 151666886
6,6,6-trifluoro-4-iodohexan-1-ol
CID 14364468
4,4,4-trifluoro-1-(4-fluorophenyl)butane-2-sulfonyl chloride
CID 122365584
4-(6-hydroxyhexan-3-ylsulfonyl)hexan-1-ol
CID 87496667
propane-1,3-diol;bis(1,2,2,2-tetrafluoroethanesulfonic acid)
CID 87127924
4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
CID 106844053
4,4-bis(trifluoromethylsulfonyl)butyl-chloro-dimethyl-λ4-sulfane
CID 126660364
1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate
CID 58036986
5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one
CID 103343915
sulfuric acid;2,2,2-trifluoroethanol
CID 172737792
chlorosulfonylsulfonyl(trifluoro)methane
CID 134337537
1,1-difluoro-2-hydroxyethanesulfonyl chloride
CID 58288757

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-6-hydroxyhexane-3-sulfonyl chloride?
The IUPAC name of 1,1,1-trifluoro-6-hydroxyhexane-3-sulfonyl chloride (CID 138980152) is 1,1,1-trifluoro-6-hydroxyhexane-3-sulfonyl chloride.
What is the SMILES notation for 1,1,1-trifluoro-6-hydroxyhexane-3-sulfonyl chloride?
The canonical SMILES for 1,1,1-trifluoro-6-hydroxyhexane-3-sulfonyl chloride is O=S(=O)(Cl)C(CCCO)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-6-hydroxyhexane-3-sulfonyl chloride?
The InChIKey is HBVMWJYLNFZDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF3O3S/c7-14(12,13)5(2-1-3-11)4-6(8,9)10/h5,11H,1-4H2.
What are the key properties of 1,1,1-trifluoro-6-hydroxyhexane-3-sulfonyl chloride?
1,1,1-trifluoro-6-hydroxyhexane-3-sulfonyl chloride has a molecular weight of 254.66 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-6-hydroxyhexane-3-sulfonyl chloride is sourced from PubChem (CID 138980152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).