N,N-dimethylpropan-2-amine;2,2,2-trifluoroacetic acid

C7H14F3NO2 — CID 171338229

IUPACN,N-dimethylpropan-2-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)N(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C5H13N.C2HF3O2/c1-5(2)6(3)4;3-2(4,5)1(6)7/h5H,1-4H3;(H,6,7)
InChIKeyUGWVMWZQJMHXGM-UHFFFAOYSA-N
MW201.19 g/mol
LogP1.59
Rot. Bonds1

About N,N-dimethylpropan-2-amine;2,2,2-trifluoroacetic acid

N,N-dimethylpropan-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 171338229) has the molecular formula C7H14F3NO2 and a molecular weight of 201.19 g/mol. Its IUPAC name is N,N-dimethylpropan-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethylpropan-2-amine;2,2,2-trifluoroacetic acid
PubChem CID171338229
Molecular FormulaC7H14F3NO2
Molecular Weight201.19 g/mol
Exact Mass201.10
IUPAC NameN,N-dimethylpropan-2-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)N(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C5H13N.C2HF3O2/c1-5(2)6(3)4;3-2(4,5)1(6)7/h5H,1-4H3;(H,6,7)
InChIKeyUGWVMWZQJMHXGM-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropan-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethylpropan-2-amine;2,2,2-trifluoroacetic acid (CID 171338229) is N,N-dimethylpropan-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethylpropan-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethylpropan-2-amine;2,2,2-trifluoroacetic acid is CC(C)N(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethylpropan-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is UGWVMWZQJMHXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C2HF3O2/c1-5(2)6(3)4;3-2(4,5)1(6)7/h5H,1-4H3;(H,6,7).
What are the key properties of N,N-dimethylpropan-2-amine;2,2,2-trifluoroacetic acid?
N,N-dimethylpropan-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 201.19 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropan-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171338229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).