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

C8H16F3NO2 — CID 71345163

IUPACN-propylpropan-1-amine;2,2,2-trifluoroacetic acid
SMILESCCCNCCC.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15N.C2HF3O2/c1-3-5-7-6-4-2;3-2(4,5)1(6)7/h7H,3-6H2,1-2H3;(H,6,7)
InChIKeyVFAIRCAZEYFUCB-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.03
Rot. Bonds4

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

N-propylpropan-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 71345163) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is N-propylpropan-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-propylpropan-1-amine;2,2,2-trifluoroacetic acid
PubChem CID71345163
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC NameN-propylpropan-1-amine;2,2,2-trifluoroacetic acid
SMILESCCCNCCC.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15N.C2HF3O2/c1-3-5-7-6-4-2;3-2(4,5)1(6)7/h7H,3-6H2,1-2H3;(H,6,7)
InChIKeyVFAIRCAZEYFUCB-UHFFFAOYSA-N
XLogP2.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propylpropan-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-propylpropan-1-amine;2,2,2-trifluoroacetic acid (CID 71345163) is N-propylpropan-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-propylpropan-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-propylpropan-1-amine;2,2,2-trifluoroacetic acid is CCCNCCC.O=C(O)C(F)(F)F.
What is the InChIKey of N-propylpropan-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is VFAIRCAZEYFUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2HF3O2/c1-3-5-7-6-4-2;3-2(4,5)1(6)7/h7H,3-6H2,1-2H3;(H,6,7).
What are the key properties of N-propylpropan-1-amine;2,2,2-trifluoroacetic acid?
N-propylpropan-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 215.21 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylpropan-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71345163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).