N-methylpropan-1-amine;2,2,2-trifluoroacetic acid

C6H12F3NO2 — CID 172853683

IUPACN-methylpropan-1-amine;2,2,2-trifluoroacetic acid
SMILESCCCNC.O=C(O)C(F)(F)F
InChIInChI=1S/C4H11N.C2HF3O2/c1-3-4-5-2;3-2(4,5)1(6)7/h5H,3-4H2,1-2H3;(H,6,7)
InChIKeyYKHPBDXKBHRNHW-UHFFFAOYSA-N
MW187.16 g/mol
LogP1.25
Rot. Bonds2

About N-methylpropan-1-amine;2,2,2-trifluoroacetic acid

N-methylpropan-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 172853683) has the molecular formula C6H12F3NO2 and a molecular weight of 187.16 g/mol. Its IUPAC name is N-methylpropan-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methylpropan-1-amine;2,2,2-trifluoroacetic acid
PubChem CID172853683
Molecular FormulaC6H12F3NO2
Molecular Weight187.16 g/mol
Exact Mass187.08
IUPAC NameN-methylpropan-1-amine;2,2,2-trifluoroacetic acid
SMILESCCCNC.O=C(O)C(F)(F)F
InChIInChI=1S/C4H11N.C2HF3O2/c1-3-4-5-2;3-2(4,5)1(6)7/h5H,3-4H2,1-2H3;(H,6,7)
InChIKeyYKHPBDXKBHRNHW-UHFFFAOYSA-N
XLogP1.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylpropan-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methylpropan-1-amine;2,2,2-trifluoroacetic acid (CID 172853683) is N-methylpropan-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methylpropan-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methylpropan-1-amine;2,2,2-trifluoroacetic acid is CCCNC.O=C(O)C(F)(F)F.
What is the InChIKey of N-methylpropan-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is YKHPBDXKBHRNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C2HF3O2/c1-3-4-5-2;3-2(4,5)1(6)7/h5H,3-4H2,1-2H3;(H,6,7).
What are the key properties of N-methylpropan-1-amine;2,2,2-trifluoroacetic acid?
N-methylpropan-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 187.16 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpropan-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172853683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).