N-[2-(diethylamino)ethyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C8H14F6N2O4S2 — CID 134244008

IUPACN-[2-(diethylamino)ethyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCN(CC)CCN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F6N2O4S2/c1-3-15(4-2)5-6-16(21(17,18)7(9,10)11)22(19,20)8(12,13)14/h3-6H2,1-2H3
InChIKeyHUIQFYKLRGUKAF-UHFFFAOYSA-N
MW380.33 g/mol
LogP1.33
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

N-[2-(diethylamino)ethyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 134244008) has the molecular formula C8H14F6N2O4S2 and a molecular weight of 380.33 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID134244008
Molecular FormulaC8H14F6N2O4S2
Molecular Weight380.33 g/mol
Exact Mass380.03
IUPAC NameN-[2-(diethylamino)ethyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCN(CC)CCN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F6N2O4S2/c1-3-15(4-2)5-6-16(21(17,18)7(9,10)11)22(19,20)8(12,13)14/h3-6H2,1-2H3
InChIKeyHUIQFYKLRGUKAF-UHFFFAOYSA-N
XLogP1.33
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-[bis(trifluoromethylsulfonyl)amino]ethyl-(trifluoromethylsulfonyl)amino]ethyl]-N-[2-[2-[2-[bis(trifluoromethylsulfonyl)amino]ethyl-(trifluoromethylsulfonyl)amino]ethyl-(trifluoromethylsulfonyl)amino]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 102532757
1,1,1-trifluoro-N-hexadecyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87858970
N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine
CID 165346498
1-(diethylamino)-6,6,6-trifluorohexan-3-one
CID 79077397
3-(diethylamino)propanoyl fluoride
CID 139607789
tetradecakis(N,N-diethylethanamine);sulfuric acid
CID 173427805
3-(diethylamino)propane-1-sulfonic acid;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 56973050
copper;N,N,N',N'-tetrapropylethane-1,2-diamine;bis(trifluoromethanesulfonate)
CID 173220495
1-(diethylamino)-7,7,7-trifluoroheptan-3-one
CID 115515964
dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)
CID 4558005
N,N-diethylethanamine;ethanesulfonic acid
CID 86151336
CID 168966122
CID 168966122

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 134244008) is N-[2-(diethylamino)ethyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CCN(CC)CCN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is HUIQFYKLRGUKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F6N2O4S2/c1-3-15(4-2)5-6-16(21(17,18)7(9,10)11)22(19,20)8(12,13)14/h3-6H2,1-2H3.
What are the key properties of N-[2-(diethylamino)ethyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
N-[2-(diethylamino)ethyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 380.33 g/mol, XLogP of 1.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 134244008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).