2-chloro-5,5,6,6,6-pentafluoro-2-(oxolan-2-ylmethylsulfonyl)hexanamide

C11H15ClF5NO4S — CID 58478683

IUPAC2-chloro-5,5,6,6,6-pentafluoro-2-(oxolan-2-ylmethylsulfonyl)hexanamide
SMILESNC(=O)C(Cl)(CCC(F)(F)C(F)(F)F)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H15ClF5NO4S/c12-9(8(18)19,3-4-10(13,14)11(15,16)17)23(20,21)6-7-2-1-5-22-7/h7H,1-6H2,(H2,18,19)
InChIKeySGXGERZLIHFVHV-UHFFFAOYSA-N
MW387.75 g/mol
LogP1.98
Rot. Bonds7

About 2-chloro-5,5,6,6,6-pentafluoro-2-(oxolan-2-ylmethylsulfonyl)hexanamide

2-chloro-5,5,6,6,6-pentafluoro-2-(oxolan-2-ylmethylsulfonyl)hexanamide (PubChem CID 58478683) has the molecular formula C11H15ClF5NO4S and a molecular weight of 387.75 g/mol. Its IUPAC name is 2-chloro-5,5,6,6,6-pentafluoro-2-(oxolan-2-ylmethylsulfonyl)hexanamide.

Molecular Properties

Compound Name2-chloro-5,5,6,6,6-pentafluoro-2-(oxolan-2-ylmethylsulfonyl)hexanamide
PubChem CID58478683
Molecular FormulaC11H15ClF5NO4S
Molecular Weight387.75 g/mol
Exact Mass387.03
IUPAC Name2-chloro-5,5,6,6,6-pentafluoro-2-(oxolan-2-ylmethylsulfonyl)hexanamide
SMILESNC(=O)C(Cl)(CCC(F)(F)C(F)(F)F)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H15ClF5NO4S/c12-9(8(18)19,3-4-10(13,14)11(15,16)17)23(20,21)6-7-2-1-5-22-7/h7H,1-6H2,(H2,18,19)
InChIKeySGXGERZLIHFVHV-UHFFFAOYSA-N
XLogP1.98
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.75
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(tert-butylsulfonylmethyl)oxolane
CID 165172638
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
2-[(2S)-oxolan-2-yl]acetamide
CID 89422838
1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one
CID 62963522
3-fluoro-4-(oxolan-2-ylmethylsulfonyl)benzoic acid
CID 79186943
2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine
CID 106495993
2,2,2-trichloroethyl 2-(oxolan-2-yl)acetate
CID 54427849
2-(oxolan-2-ylmethylsulfonylamino)acetic acid
CID 63246701
2-(2-tert-butylsulfonylethyl)oxolane
CID 59159510
4-amino-4-oxo-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid
CID 63246428
methyl 3-(oxolan-2-yl)-2-(trifluoromethylsulfonyloxy)propanoate
CID 76786035
2-[oxolan-2-ylmethylsulfonyl(pyrrolidin-3-yl)amino]acetamide
CID 63246610

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,5,6,6,6-pentafluoro-2-(oxolan-2-ylmethylsulfonyl)hexanamide?
The IUPAC name of 2-chloro-5,5,6,6,6-pentafluoro-2-(oxolan-2-ylmethylsulfonyl)hexanamide (CID 58478683) is 2-chloro-5,5,6,6,6-pentafluoro-2-(oxolan-2-ylmethylsulfonyl)hexanamide.
What is the SMILES notation for 2-chloro-5,5,6,6,6-pentafluoro-2-(oxolan-2-ylmethylsulfonyl)hexanamide?
The canonical SMILES for 2-chloro-5,5,6,6,6-pentafluoro-2-(oxolan-2-ylmethylsulfonyl)hexanamide is NC(=O)C(Cl)(CCC(F)(F)C(F)(F)F)S(=O)(=O)CC1CCCO1.
What is the InChIKey of 2-chloro-5,5,6,6,6-pentafluoro-2-(oxolan-2-ylmethylsulfonyl)hexanamide?
The InChIKey is SGXGERZLIHFVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF5NO4S/c12-9(8(18)19,3-4-10(13,14)11(15,16)17)23(20,21)6-7-2-1-5-22-7/h7H,1-6H2,(H2,18,19).
What are the key properties of 2-chloro-5,5,6,6,6-pentafluoro-2-(oxolan-2-ylmethylsulfonyl)hexanamide?
2-chloro-5,5,6,6,6-pentafluoro-2-(oxolan-2-ylmethylsulfonyl)hexanamide has a molecular weight of 387.75 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,5,6,6,6-pentafluoro-2-(oxolan-2-ylmethylsulfonyl)hexanamide is sourced from PubChem (CID 58478683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).