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

C9H11F6NO — CID 103312381

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESNC(C1=CCCCO1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H11F6NO/c10-8(11,12)7(9(13,14)15)6(16)5-3-1-2-4-17-5/h3,6-7H,1-2,4,16H2
InChIKeyTYKWQMPQVOKAHJ-UHFFFAOYSA-N
MW263.18 g/mol
LogP2.75
Rot. Bonds2

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

1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312381) has the molecular formula C9H11F6NO and a molecular weight of 263.18 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
PubChem CID103312381
Molecular FormulaC9H11F6NO
Molecular Weight263.18 g/mol
Exact Mass263.07
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESNC(C1=CCCCO1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H11F6NO/c10-8(11,12)7(9(13,14)15)6(16)5-3-1-2-4-17-5/h3,6-7H,1-2,4,16H2
InChIKeyTYKWQMPQVOKAHJ-UHFFFAOYSA-N
XLogP2.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-Butoxy-4-fluoro-6-methylcyclohexa-2,4-dien-1-amine
CID 68244552
(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-amine
CID 142810445
ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 143080456
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine
CID 102647258
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-amine
CID 102647826
1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanamine
CID 102649431
1-(2,3-Dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-amine
CID 102651351
1-(3,4-dihydro-2H-pyran-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148062
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 103148942
1-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216540
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103312382
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312383

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (CID 103312381) is 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine is NC(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-2-(trifluoromethyl)propan-1-amine?
The InChIKey is TYKWQMPQVOKAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F6NO/c10-8(11,12)7(9(13,14)15)6(16)5-3-1-2-4-17-5/h3,6-7H,1-2,4,16H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine has a molecular weight of 263.18 g/mol, XLogP of 2.75, 2 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-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).