N-methyl-3-(trifluoromethoxy)propan-1-amine

C5H10F3NO — CID 64984809

IUPACN-methyl-3-(trifluoromethoxy)propan-1-amine
SMILESCNCCCOC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-9-3-2-4-10-5(6,7)8/h9H,2-4H2,1H3
InChIKeyDRIBPMSTQFQOFC-UHFFFAOYSA-N
MW157.13 g/mol
LogP1.13
Rot. Bonds4

About N-methyl-3-(trifluoromethoxy)propan-1-amine

N-methyl-3-(trifluoromethoxy)propan-1-amine (PubChem CID 64984809) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethoxy)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethoxy)propan-1-amine
PubChem CID64984809
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC NameN-methyl-3-(trifluoromethoxy)propan-1-amine
SMILESCNCCCOC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-9-3-2-4-10-5(6,7)8/h9H,2-4H2,1H3
InChIKeyDRIBPMSTQFQOFC-UHFFFAOYSA-N
XLogP1.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 51.13
H-Bond Donors ≤ 51
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-methyl-3-(trifluoromethoxy)propan-1-amine?
The IUPAC name of N-methyl-3-(trifluoromethoxy)propan-1-amine (CID 64984809) is N-methyl-3-(trifluoromethoxy)propan-1-amine.
What is the SMILES notation for N-methyl-3-(trifluoromethoxy)propan-1-amine?
The canonical SMILES for N-methyl-3-(trifluoromethoxy)propan-1-amine is CNCCCOC(F)(F)F.
What is the InChIKey of N-methyl-3-(trifluoromethoxy)propan-1-amine?
The InChIKey is DRIBPMSTQFQOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-9-3-2-4-10-5(6,7)8/h9H,2-4H2,1H3.
What are the key properties of N-methyl-3-(trifluoromethoxy)propan-1-amine?
N-methyl-3-(trifluoromethoxy)propan-1-amine has a molecular weight of 157.13 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethoxy)propan-1-amine is sourced from PubChem (CID 64984809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).