N,N-dimethylmethanamine;trifluoromethyl sulfite

C4H9F3NO3S- — CID 174439775

IUPACN,N-dimethylmethanamine;trifluoromethyl sulfite
SMILESCN(C)C.O=S([O-])OC(F)(F)F
InChIInChI=1S/C3H9N.CHF3O3S/c1-4(2)3;2-1(3,4)7-8(5)6/h1-3H3;(H,5,6)/p-1
InChIKeyREKMYSMZUONGHV-UHFFFAOYSA-M
MW208.18 g/mol
LogP0.49
Rot. Bonds1

About N,N-dimethylmethanamine;trifluoromethyl sulfite

N,N-dimethylmethanamine;trifluoromethyl sulfite (PubChem CID 174439775) has the molecular formula C4H9F3NO3S- and a molecular weight of 208.18 g/mol. Its IUPAC name is N,N-dimethylmethanamine;trifluoromethyl sulfite.

Molecular Properties

Compound NameN,N-dimethylmethanamine;trifluoromethyl sulfite
PubChem CID174439775
Molecular FormulaC4H9F3NO3S-
Molecular Weight208.18 g/mol
Exact Mass208.03
IUPAC NameN,N-dimethylmethanamine;trifluoromethyl sulfite
SMILESCN(C)C.O=S([O-])OC(F)(F)F
InChIInChI=1S/C3H9N.CHF3O3S/c1-4(2)3;2-1(3,4)7-8(5)6/h1-3H3;(H,5,6)/p-1
InChIKeyREKMYSMZUONGHV-UHFFFAOYSA-M
XLogP0.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;trifluoromethyl sulfite?
The IUPAC name of N,N-dimethylmethanamine;trifluoromethyl sulfite (CID 174439775) is N,N-dimethylmethanamine;trifluoromethyl sulfite.
What is the SMILES notation for N,N-dimethylmethanamine;trifluoromethyl sulfite?
The canonical SMILES for N,N-dimethylmethanamine;trifluoromethyl sulfite is CN(C)C.O=S([O-])OC(F)(F)F.
What is the InChIKey of N,N-dimethylmethanamine;trifluoromethyl sulfite?
The InChIKey is REKMYSMZUONGHV-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9N.CHF3O3S/c1-4(2)3;2-1(3,4)7-8(5)6/h1-3H3;(H,5,6)/p-1.
What are the key properties of N,N-dimethylmethanamine;trifluoromethyl sulfite?
N,N-dimethylmethanamine;trifluoromethyl sulfite has a molecular weight of 208.18 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;trifluoromethyl sulfite is sourced from PubChem (CID 174439775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).