4,4,4-trifluoro-1-methoxy-N-propylbutan-2-amine

C8H16F3NO — CID 79575183

IUPAC4,4,4-trifluoro-1-methoxy-N-propylbutan-2-amine
SMILESCCCNC(COC)CC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-3-4-12-7(6-13-2)5-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyJHJXPSRXNMRWBY-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.95
Rot. Bonds6

About 4,4,4-trifluoro-1-methoxy-N-propylbutan-2-amine

4,4,4-trifluoro-1-methoxy-N-propylbutan-2-amine (PubChem CID 79575183) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-methoxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-methoxy-N-propylbutan-2-amine
PubChem CID79575183
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name4,4,4-trifluoro-1-methoxy-N-propylbutan-2-amine
SMILESCCCNC(COC)CC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-3-4-12-7(6-13-2)5-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyJHJXPSRXNMRWBY-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-methoxy-N-propylbutan-2-amine?
The IUPAC name of 4,4,4-trifluoro-1-methoxy-N-propylbutan-2-amine (CID 79575183) is 4,4,4-trifluoro-1-methoxy-N-propylbutan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-methoxy-N-propylbutan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-1-methoxy-N-propylbutan-2-amine is CCCNC(COC)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-methoxy-N-propylbutan-2-amine?
The InChIKey is JHJXPSRXNMRWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-3-4-12-7(6-13-2)5-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-1-methoxy-N-propylbutan-2-amine?
4,4,4-trifluoro-1-methoxy-N-propylbutan-2-amine has a molecular weight of 199.22 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-methoxy-N-propylbutan-2-amine is sourced from PubChem (CID 79575183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).