1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine

C12H17F6NO — CID 103312261

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
SMILESCCCNC(C1=COCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F6NO/c1-2-5-19-9(8-4-3-6-20-7-8)10(11(13,14)15)12(16,17)18/h7,9-10,19H,2-6H2,1H3
InChIKeyLALGBDMZCBQARO-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.79
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine

1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312261) has the molecular formula C12H17F6NO and a molecular weight of 305.26 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
PubChem CID103312261
Molecular FormulaC12H17F6NO
Molecular Weight305.26 g/mol
Exact Mass305.12
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
SMILESCCCNC(C1=COCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F6NO/c1-2-5-19-9(8-4-3-6-20-7-8)10(11(13,14)15)12(16,17)18/h7,9-10,19H,2-6H2,1H3
InChIKeyLALGBDMZCBQARO-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine with MolForge

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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-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312262
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 103517059
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2,2-difluoroethanamine
CID 103517060
1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoro-N-methylethanamine
CID 103517062
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 104058658
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 104058659
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 104058660

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine (CID 103312261) is 1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine is CCCNC(C1=COCCC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine?
The InChIKey is LALGBDMZCBQARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F6NO/c1-2-5-19-9(8-4-3-6-20-7-8)10(11(13,14)15)12(16,17)18/h7,9-10,19H,2-6H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine has a molecular weight of 305.26 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).