N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C12H20F3NO2 — CID 103216174

IUPACN-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)C1=COCCC1
InChIInChI=1S/C12H20F3NO2/c1-2-5-16-11(8-18-9-12(13,14)15)10-4-3-6-17-7-10/h7,11,16H,2-6,8-9H2,1H3
InChIKeyMXRSBNXPXPMODN-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.63
Rot. Bonds7

About N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 103216174) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID103216174
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)C1=COCCC1
InChIInChI=1S/C12H20F3NO2/c1-2-5-16-11(8-18-9-12(13,14)15)10-4-3-6-17-7-10/h7,11,16H,2-6,8-9H2,1H3
InChIKeyMXRSBNXPXPMODN-UHFFFAOYSA-N
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
N-ethyl-4-methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 103215736
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-ethyl-5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine
CID 103216260
5-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine
CID 103216267
1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475118

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 103216174) is N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)F)C1=COCCC1.
What is the InChIKey of N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is MXRSBNXPXPMODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-2-5-16-11(8-18-9-12(13,14)15)10-4-3-6-17-7-10/h7,11,16H,2-6,8-9H2,1H3.
What are the key properties of N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 267.29 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 103216174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).