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

C10H16F3NO — CID 105033381

IUPACN-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-2-5-14-9(10(11,12)13)8-4-3-6-15-7-8/h7,9,14H,2-6H2,1H3
InChIKeyKWNMFQBMFOLBGH-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.61
Rot. Bonds4

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

N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine (PubChem CID 105033381) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine
PubChem CID105033381
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC NameN-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-2-5-14-9(10(11,12)13)8-4-3-6-15-7-8/h7,9,14H,2-6H2,1H3
InChIKeyKWNMFQBMFOLBGH-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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)-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)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312261
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312262
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475600
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475828

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine?
The IUPAC name of N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine (CID 105033381) is N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine is CCCNC(C1=COCCC1)C(F)(F)F.
What is the InChIKey of N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine?
The InChIKey is KWNMFQBMFOLBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-2-5-14-9(10(11,12)13)8-4-3-6-15-7-8/h7,9,14H,2-6H2,1H3.
What are the key properties of N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine?
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine has a molecular weight of 223.24 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine is sourced from PubChem (CID 105033381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).