1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C13H22F3NO2 — CID 103148720

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCCNC(CCOCC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C13H22F3NO2/c1-2-7-17-11(12-5-3-4-8-19-12)6-9-18-10-13(14,15)16/h5,11,17H,2-4,6-10H2,1H3
InChIKeyYROQLFWYUBIUMQ-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.02
Rot. Bonds8

About 1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148720) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148720
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCCNC(CCOCC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C13H22F3NO2/c1-2-7-17-11(12-5-3-4-8-19-12)6-9-18-10-13(14,15)16/h5,11,17H,2-4,6-10H2,1H3
InChIKeyYROQLFWYUBIUMQ-UHFFFAOYSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine
CID 102649291
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-propoxypropan-1-amine
CID 102648757
[1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxypropyl]hydrazine
CID 102650337
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 102649135
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine
CID 102647447
1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine
CID 102653741
N-[1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207516
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103169804
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
CID 102648094
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 102647380
N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148700
1-(4-bromo-5-chlorothiophen-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103208018

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148720) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CCCNC(CCOCC(F)(F)F)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is YROQLFWYUBIUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-2-7-17-11(12-5-3-4-8-19-12)6-9-18-10-13(14,15)16/h5,11,17H,2-4,6-10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 281.32 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).