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

C10H17F2NO2 — CID 103148942

IUPAC3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
SMILESNC(CCOCC(F)F)C1=CCCCO1
InChIInChI=1S/C10H17F2NO2/c11-10(12)7-14-6-4-8(13)9-3-1-2-5-15-9/h3,8,10H,1-2,4-7,13H2
InChIKeyVELMCZPWONUVDE-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.68
Rot. Bonds6

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

3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine (PubChem CID 103148942) 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-6-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
PubChem CID103148942
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
SMILESNC(CCOCC(F)F)C1=CCCCO1
InChIInChI=1S/C10H17F2NO2/c11-10(12)7-14-6-4-8(13)9-3-1-2-5-15-9/h3,8,10H,1-2,4-7,13H2
InChIKeyVELMCZPWONUVDE-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

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-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148062
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

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine (CID 103148942) is 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine is NC(CCOCC(F)F)C1=CCCCO1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
The InChIKey is VELMCZPWONUVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c11-10(12)7-14-6-4-8(13)9-3-1-2-5-15-9/h3,8,10H,1-2,4-7,13H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-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-6-yl)propan-1-amine is sourced from PubChem (CID 103148942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).