3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine

C10H17F2NO2 — CID 103149061

IUPAC3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine
SMILESNC(CCOCC(F)F)C1=COCCC1
InChIInChI=1S/C10H17F2NO2/c11-10(12)7-15-5-3-9(13)8-2-1-4-14-6-8/h6,9-10H,1-5,7,13H2
InChIKeyFTNYDVMCLCRUQX-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.68
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine

3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine (PubChem CID 103149061) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine
PubChem CID103149061
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine
SMILESNC(CCOCC(F)F)C1=COCCC1
InChIInChI=1S/C10H17F2NO2/c11-10(12)7-15-5-3-9(13)8-2-1-4-14-6-8/h6,9-10H,1-5,7,13H2
InChIKeyFTNYDVMCLCRUQX-UHFFFAOYSA-N
XLogP1.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.68
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-5-yl)-2-(1,3-dioxolan-2-yl)ethanamine
CID 103544151
1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103207512
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475828
3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103148910
1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 103207036
(2R)-4-(2,2-difluoroethoxy)butan-2-amine
CID 103151198
1-(3-bromofuran-2-yl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 103149051
3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)propan-1-amine
CID 103148805
(4-butoxyphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105179416
[1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxypropyl]hydrazine
CID 105222718
(3S)-1-(2,2-difluoroethoxy)pentan-3-amine
CID 103151201
1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 106654804

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine (CID 103149061) is 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine is NC(CCOCC(F)F)C1=COCCC1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine?
The InChIKey is FTNYDVMCLCRUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c11-10(12)7-15-5-3-9(13)8-2-1-4-14-6-8/h6,9-10H,1-5,7,13H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine has a molecular weight of 221.25 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine is sourced from PubChem (CID 103149061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).