3,3,3-trifluoro-N-methyl-2-propoxypropan-1-amine

C7H14F3NO — CID 168927414

IUPAC3,3,3-trifluoro-N-methyl-2-propoxypropan-1-amine
SMILESCCCOC(CNC)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-3-4-12-6(5-11-2)7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyLBRLJPLDJGKWLY-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.56
Rot. Bonds5

About 3,3,3-trifluoro-N-methyl-2-propoxypropan-1-amine

3,3,3-trifluoro-N-methyl-2-propoxypropan-1-amine (PubChem CID 168927414) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-2-propoxypropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-2-propoxypropan-1-amine
PubChem CID168927414
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name3,3,3-trifluoro-N-methyl-2-propoxypropan-1-amine
SMILESCCCOC(CNC)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-3-4-12-6(5-11-2)7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyLBRLJPLDJGKWLY-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-2-propoxypropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-2-propoxypropan-1-amine (CID 168927414) is 3,3,3-trifluoro-N-methyl-2-propoxypropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-2-propoxypropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-2-propoxypropan-1-amine is CCCOC(CNC)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-2-propoxypropan-1-amine?
The InChIKey is LBRLJPLDJGKWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-3-4-12-6(5-11-2)7(8,9)10/h6,11H,3-5H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-2-propoxypropan-1-amine?
3,3,3-trifluoro-N-methyl-2-propoxypropan-1-amine has a molecular weight of 185.19 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-2-propoxypropan-1-amine is sourced from PubChem (CID 168927414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).