2-(2,2-difluoroethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine

C10H17F2NO2 — CID 107095580

IUPAC2-(2,2-difluoroethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
SMILESFC(F)COCCNCC1CCC=CO1
InChIInChI=1S/C10H17F2NO2/c11-10(12)8-14-6-4-13-7-9-3-1-2-5-15-9/h2,5,9-10,13H,1,3-4,6-8H2
InChIKeyNZWZKQDOPUNTNY-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.55
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine

2-(2,2-difluoroethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine (PubChem CID 107095580) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
PubChem CID107095580
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name2-(2,2-difluoroethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
SMILESFC(F)COCCNCC1CCC=CO1
InChIInChI=1S/C10H17F2NO2/c11-10(12)8-14-6-4-13-7-9-3-1-2-5-15-9/h2,5,9-10,13H,1,3-4,6-8H2
InChIKeyNZWZKQDOPUNTNY-UHFFFAOYSA-N
XLogP1.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.55
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-2-yl)-2,2,2-trifluoro-N-methylethanamine
CID 55297095
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine
CID 62064871
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,3,3-trifluoropropan-1-amine
CID 63226222
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63828549
(2,2-difluoroethyl)(3,4-dihydro-2H-pyran-2-ylmethyl)amine
CID 75481269
2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 79113167
N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine
CID 97300300
N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine
CID 97300301
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-2-amine
CID 102613521
N-[2-(2,2-difluoroethoxy)ethyl]hept-6-en-1-amine
CID 105910158
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210664
N-[2-(2,2,2-trifluoroethoxy)ethyl]hept-6-en-1-amine
CID 107006845

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine (CID 107095580) is 2-(2,2-difluoroethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine is FC(F)COCCNCC1CCC=CO1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
The InChIKey is NZWZKQDOPUNTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c11-10(12)8-14-6-4-13-7-9-3-1-2-5-15-9/h2,5,9-10,13H,1,3-4,6-8H2.
What are the key properties of 2-(2,2-difluoroethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
2-(2,2-difluoroethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine has a molecular weight of 221.25 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine is sourced from PubChem (CID 107095580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).