ethane;1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide

C8H18F3NO2S — CID 165393903

IUPACethane;1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide
SMILESCC.CC(C)C(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H12F3NO2S.C2H6/c1-4(2)5(3)10-13(11,12)6(7,8)9;1-2/h4-5,10H,1-3H3;1-2H3
InChIKeyOMQZSTGAZLSOTC-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.50
Rot. Bonds3

About ethane;1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide

ethane;1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide (PubChem CID 165393903) has the molecular formula C8H18F3NO2S and a molecular weight of 249.30 g/mol. Its IUPAC name is ethane;1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide.

Molecular Properties

Compound Nameethane;1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide
PubChem CID165393903
Molecular FormulaC8H18F3NO2S
Molecular Weight249.30 g/mol
Exact Mass249.10
IUPAC Nameethane;1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide
SMILESCC.CC(C)C(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H12F3NO2S.C2H6/c1-4(2)5(3)10-13(11,12)6(7,8)9;1-2/h4-5,10H,1-3H3;1-2H3
InChIKeyOMQZSTGAZLSOTC-UHFFFAOYSA-N
XLogP2.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide
CID 58427695
1,1,1-Trifluoro-N-(2-methylbutyl)methanesulfonamide
CID 72183447
1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide
CID 101913204
N-[(2R)-3,3-dimethylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 176436279
1,1,1-trifluoro-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 176436281
N-butan-2-yl-1,1,1-trifluoromethanesulfonamide
CID 14663477
Isopropyl(trifluoromethylsulfonyl)amine
CID 22908457
N-(1,1,1-trifluoro-3-methylbutan-2-yl)ethanesulfonamide
CID 87159546
(S)-2-methyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propane-2-sulfinamide
CID 87159547
(R)-2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]propane-2-sulfinamide
CID 87159616
(R)-2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide
CID 87159671
1,1,1-Trifluoro-N-isopentylmethanesulfonamide
CID 118301710

Frequently Asked Questions

What is the IUPAC name of ethane;1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide?
The IUPAC name of ethane;1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide (CID 165393903) is ethane;1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide.
What is the SMILES notation for ethane;1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide?
The canonical SMILES for ethane;1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide is CC.CC(C)C(C)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of ethane;1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide?
The InChIKey is OMQZSTGAZLSOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2S.C2H6/c1-4(2)5(3)10-13(11,12)6(7,8)9;1-2/h4-5,10H,1-3H3;1-2H3.
What are the key properties of ethane;1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide?
ethane;1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide has a molecular weight of 249.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide is sourced from PubChem (CID 165393903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).