ethanol;N-methylmethanamine;2,2,2-trifluoroacetic acid

C6H14F3NO3 — CID 175427033

IUPACethanol;N-methylmethanamine;2,2,2-trifluoroacetic acid
SMILESCCO.CNC.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H7N.C2H6O/c3-2(4,5)1(6)7;1-3-2;1-2-3/h(H,6,7);3H,1-2H3;3H,2H2,1H3
InChIKeyWIOMCNNPBQVGOW-UHFFFAOYSA-N
MW205.18 g/mol
LogP0.47
Rot. Bonds

About ethanol;N-methylmethanamine;2,2,2-trifluoroacetic acid

ethanol;N-methylmethanamine;2,2,2-trifluoroacetic acid (PubChem CID 175427033) has the molecular formula C6H14F3NO3 and a molecular weight of 205.18 g/mol. Its IUPAC name is ethanol;N-methylmethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameethanol;N-methylmethanamine;2,2,2-trifluoroacetic acid
PubChem CID175427033
Molecular FormulaC6H14F3NO3
Molecular Weight205.18 g/mol
Exact Mass205.09
IUPAC Nameethanol;N-methylmethanamine;2,2,2-trifluoroacetic acid
SMILESCCO.CNC.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H7N.C2H6O/c3-2(4,5)1(6)7;1-3-2;1-2-3/h(H,6,7);3H,1-2H3;3H,2H2,1H3
InChIKeyWIOMCNNPBQVGOW-UHFFFAOYSA-N
XLogP0.47
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanol;N-methylmethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of ethanol;N-methylmethanamine;2,2,2-trifluoroacetic acid (CID 175427033) is ethanol;N-methylmethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for ethanol;N-methylmethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for ethanol;N-methylmethanamine;2,2,2-trifluoroacetic acid is CCO.CNC.O=C(O)C(F)(F)F.
What is the InChIKey of ethanol;N-methylmethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is WIOMCNNPBQVGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.C2H7N.C2H6O/c3-2(4,5)1(6)7;1-3-2;1-2-3/h(H,6,7);3H,1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;N-methylmethanamine;2,2,2-trifluoroacetic acid?
ethanol;N-methylmethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 205.18 g/mol, XLogP of 0.47, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;N-methylmethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175427033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).