1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine

C10H13F6NO — CID 103312382

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCNC(C1=CCCCO1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO/c1-17-7(6-4-2-3-5-18-6)8(9(11,12)13)10(14,15)16/h4,7-8,17H,2-3,5H2,1H3
InChIKeyIUFMBQPLBSJESH-UHFFFAOYSA-N
MW277.21 g/mol
LogP3.01
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312382) has the molecular formula C10H13F6NO and a molecular weight of 277.21 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
PubChem CID103312382
Molecular FormulaC10H13F6NO
Molecular Weight277.21 g/mol
Exact Mass277.09
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCNC(C1=CCCCO1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO/c1-17-7(6-4-2-3-5-18-6)8(9(11,12)13)10(14,15)16/h4,7-8,17H,2-3,5H2,1H3
InChIKeyIUFMBQPLBSJESH-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine with MolForge

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Related Compounds

2-But-3-en-2-yl-5-(2,2-difluorobutoxy)-1,2,3,6-tetrahydropyridine
CID 91029455
N-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-3-amine
CID 141535728
4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine
CID 174310276
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 102647259
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 102647260
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 102647261
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 102647827
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 102647828
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 102647829
1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoro-N-methylethanamine
CID 102649052
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 102649135
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2,2-trifluoroethanamine
CID 102649349

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine (CID 103312382) is 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine is CNC(C1=CCCCO1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The InChIKey is IUFMBQPLBSJESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO/c1-17-7(6-4-2-3-5-18-6)8(9(11,12)13)10(14,15)16/h4,7-8,17H,2-3,5H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine has a molecular weight of 277.21 g/mol, XLogP of 3.01, 3 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-6-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).