ethane;1,1,1-trifluoro-N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide

C9H17F6NO2S — CID 165393883

IUPACethane;1,1,1-trifluoro-N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide
SMILESCC.CCC(C(C)NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6NO2S.C2H6/c1-3-5(6(8,9)10)4(2)14-17(15,16)7(11,12)13;1-2/h4-5,14H,3H2,1-2H3;1-2H3
InChIKeyJTSPZDHGQHQAAT-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.43
Rot. Bonds4

About ethane;1,1,1-trifluoro-N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide

ethane;1,1,1-trifluoro-N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide (PubChem CID 165393883) has the molecular formula C9H17F6NO2S and a molecular weight of 317.30 g/mol. Its IUPAC name is ethane;1,1,1-trifluoro-N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide.

Molecular Properties

Compound Nameethane;1,1,1-trifluoro-N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide
PubChem CID165393883
Molecular FormulaC9H17F6NO2S
Molecular Weight317.30 g/mol
Exact Mass317.09
IUPAC Nameethane;1,1,1-trifluoro-N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide
SMILESCC.CCC(C(C)NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6NO2S.C2H6/c1-3-5(6(8,9)10)4(2)14-17(15,16)7(11,12)13;1-2/h4-5,14H,3H2,1-2H3;1-2H3
InChIKeyJTSPZDHGQHQAAT-UHFFFAOYSA-N
XLogP3.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide
CID 101913204
1,1,1-trifluoro-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 176436281
ethane;1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide
CID 165393903
ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide
CID 165393913
N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide
CID 177280010
N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]-1,1,1-trifluoromethanesulfonamide
CID 177280038
1,1,1-trifluoro-N-(2,2,4-trimethylpentan-3-yl)methanesulfonamide
CID 177280051
1,1-difluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide
CID 102912988
1,1,1-trifluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide
CID 102913073
N-(2-amino-3-ethylpentyl)-1,1-difluoromethanesulfonamide
CID 106286744
N-(2-ethylbutyl)-1,1-difluoromethanesulfonamide
CID 115613325
N-(2-ethylbutyl)-1,1,1-trifluoromethanesulfonamide
CID 116372800

Frequently Asked Questions

What is the IUPAC name of ethane;1,1,1-trifluoro-N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide?
The IUPAC name of ethane;1,1,1-trifluoro-N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide (CID 165393883) is ethane;1,1,1-trifluoro-N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide.
What is the SMILES notation for ethane;1,1,1-trifluoro-N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide?
The canonical SMILES for ethane;1,1,1-trifluoro-N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide is CC.CCC(C(C)NS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of ethane;1,1,1-trifluoro-N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide?
The InChIKey is JTSPZDHGQHQAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6NO2S.C2H6/c1-3-5(6(8,9)10)4(2)14-17(15,16)7(11,12)13;1-2/h4-5,14H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;1,1,1-trifluoro-N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide?
ethane;1,1,1-trifluoro-N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide has a molecular weight of 317.30 g/mol, XLogP of 3.43, 4 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-(trifluoromethyl)pentan-2-yl]methanesulfonamide is sourced from PubChem (CID 165393883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).