1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C11H17F4NO2 — CID 103475600

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)C1=COCCC1
InChIInChI=1S/C11H17F4NO2/c1-16-9(8-3-2-4-17-5-8)6-18-7-11(14,15)10(12)13/h5,9-10,16H,2-4,6-7H2,1H3
InChIKeyFEDWJHJWCFUKHJ-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.19
Rot. Bonds7

About 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475600) has the molecular formula C11H17F4NO2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475600
Molecular FormulaC11H17F4NO2
Molecular Weight271.25 g/mol
Exact Mass271.12
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)C1=COCCC1
InChIInChI=1S/C11H17F4NO2/c1-16-9(8-3-2-4-17-5-8)6-18-7-11(14,15)10(12)13/h5,9-10,16H,2-4,6-7H2,1H3
InChIKeyFEDWJHJWCFUKHJ-UHFFFAOYSA-N
XLogP2.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoro-N-methylethanamine
CID 55297096
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148624
1-(3,4-dihydro-2H-pyran-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148776
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylpropan-1-amine
CID 103149395
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylpropan-1-amine
CID 103149719
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216168
1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216169
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216172
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103216174
1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475118
N,5-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine
CID 103475545
N-ethyl-4-methylidene-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
CID 103475729

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475600) is 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CNC(COCC(F)(F)C(F)F)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is FEDWJHJWCFUKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4NO2/c1-16-9(8-3-2-4-17-5-8)6-18-7-11(14,15)10(12)13/h5,9-10,16H,2-4,6-7H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 271.25 g/mol, XLogP of 2.19, 7 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-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).