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

C10H16F3NO2 — CID 103148062

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)7-15-6-4-8(14)9-3-1-2-5-16-9/h3,8H,1-2,4-7,14H2
InChIKeyJJYKPEWQONMRJJ-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.98
Rot. Bonds5

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

1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148062) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148062
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)7-15-6-4-8(14)9-3-1-2-5-16-9/h3,8H,1-2,4-7,14H2
InChIKeyJJYKPEWQONMRJJ-UHFFFAOYSA-N
XLogP1.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-amine
CID 142810444
(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-amine
CID 142810445
ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 143080456
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine
CID 102647258
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine
CID 102647826
1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanamine
CID 102649431
1-(2,3-Dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-amine
CID 102651351
1-(2,3-Dihydrofuran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147992
1-(2,3-dihydrofuran-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148264
1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148720
3-(2,2-Difluoroethoxy)-1-(2,3-dihydrofuran-5-yl)propan-1-amine
CID 103148847
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 103148942

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148062) is 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is NC(CCOCC(F)(F)F)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is JJYKPEWQONMRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)7-15-6-4-8(14)9-3-1-2-5-16-9/h3,8H,1-2,4-7,14H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 239.24 g/mol, XLogP of 1.98, 5 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)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).