1,1,1-trifluoro-N-hexylmethanesulfonamide

C7H14F3NO2S — CID 58427693

IUPAC1,1,1-trifluoro-N-hexylmethanesulfonamide
SMILESCCCCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-2-3-4-5-6-11-14(12,13)7(8,9)10/h11H,2-6H2,1H3
InChIKeyAZGYIEDMFXACED-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.01
Rot. Bonds6

About 1,1,1-trifluoro-N-hexylmethanesulfonamide

1,1,1-trifluoro-N-hexylmethanesulfonamide (PubChem CID 58427693) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-hexylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-hexylmethanesulfonamide
PubChem CID58427693
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC Name1,1,1-trifluoro-N-hexylmethanesulfonamide
SMILESCCCCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-2-3-4-5-6-11-14(12,13)7(8,9)10/h11H,2-6H2,1H3
InChIKeyAZGYIEDMFXACED-UHFFFAOYSA-N
XLogP2.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Hexylperfluorobutanesulfonamide
CID 85868528
N-dodecyl-1,1,1-trifluoromethanesulfonamide
CID 87227510
N-Hexyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 22352711
N-Butyl-1,1,1-trifluoromethanesulfonamide
CID 20566739
1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
N-Cyclohexyltrifluoromethanesulfonamide
CID 14965464
N-(4,4-difluorocyclohexyl)methanesulfonamide
CID 57747898
N-decyl-1,1,1-trifluoromethanesulfonamide
CID 87227692
N-(7,7,7-trifluoroheptyl)methanesulfonamide
CID 138981048
1,1,1-trifluoro-N-pentan-3-ylmethanesulfonamide
CID 166445234
1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide
CID 166446328
4-Trifluoromethanesulfonamido-1-butylamine
CID 11276038

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-hexylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-hexylmethanesulfonamide (CID 58427693) is 1,1,1-trifluoro-N-hexylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-hexylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-hexylmethanesulfonamide is CCCCCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-hexylmethanesulfonamide?
The InChIKey is AZGYIEDMFXACED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-2-3-4-5-6-11-14(12,13)7(8,9)10/h11H,2-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-hexylmethanesulfonamide?
1,1,1-trifluoro-N-hexylmethanesulfonamide has a molecular weight of 233.25 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-hexylmethanesulfonamide is sourced from PubChem (CID 58427693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).