N,N-diethylethanamine;trifluoromethanesulfonyl chloride

C7H15ClF3NO2S — CID 88610578

IUPACN,N-diethylethanamine;trifluoromethanesulfonyl chloride
SMILESCCN(CC)CC.O=S(=O)(Cl)C(F)(F)F
InChIInChI=1S/C6H15N.CClF3O2S/c1-4-7(5-2)6-3;2-8(6,7)1(3,4)5/h4-6H2,1-3H3;
InChIKeyPGVHNXDSBZFXKC-UHFFFAOYSA-N
MW269.72 g/mol
LogP2.42
Rot. Bonds3

About N,N-diethylethanamine;trifluoromethanesulfonyl chloride

N,N-diethylethanamine;trifluoromethanesulfonyl chloride (PubChem CID 88610578) has the molecular formula C7H15ClF3NO2S and a molecular weight of 269.72 g/mol. Its IUPAC name is N,N-diethylethanamine;trifluoromethanesulfonyl chloride.

Molecular Properties

Compound NameN,N-diethylethanamine;trifluoromethanesulfonyl chloride
PubChem CID88610578
Molecular FormulaC7H15ClF3NO2S
Molecular Weight269.72 g/mol
Exact Mass269.05
IUPAC NameN,N-diethylethanamine;trifluoromethanesulfonyl chloride
SMILESCCN(CC)CC.O=S(=O)(Cl)C(F)(F)F
InChIInChI=1S/C6H15N.CClF3O2S/c1-4-7(5-2)6-3;2-8(6,7)1(3,4)5/h4-6H2,1-3H3;
InChIKeyPGVHNXDSBZFXKC-UHFFFAOYSA-N
XLogP2.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.72
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;trifluoromethanesulfonyl chloride?
The IUPAC name of N,N-diethylethanamine;trifluoromethanesulfonyl chloride (CID 88610578) is N,N-diethylethanamine;trifluoromethanesulfonyl chloride.
What is the SMILES notation for N,N-diethylethanamine;trifluoromethanesulfonyl chloride?
The canonical SMILES for N,N-diethylethanamine;trifluoromethanesulfonyl chloride is CCN(CC)CC.O=S(=O)(Cl)C(F)(F)F.
What is the InChIKey of N,N-diethylethanamine;trifluoromethanesulfonyl chloride?
The InChIKey is PGVHNXDSBZFXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.CClF3O2S/c1-4-7(5-2)6-3;2-8(6,7)1(3,4)5/h4-6H2,1-3H3;.
What are the key properties of N,N-diethylethanamine;trifluoromethanesulfonyl chloride?
N,N-diethylethanamine;trifluoromethanesulfonyl chloride has a molecular weight of 269.72 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;trifluoromethanesulfonyl chloride is sourced from PubChem (CID 88610578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).