1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanamine

C7H10F3NO — CID 55283616

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanamine
SMILESNC(C1=COCCC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c8-7(9,10)6(11)5-2-1-3-12-4-5/h4,6H,1-3,11H2
InChIKeyKCHUCFHLOKSSEY-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.57
Rot. Bonds1

About 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanamine

1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanamine (PubChem CID 55283616) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanamine
PubChem CID55283616
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanamine
SMILESNC(C1=COCCC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c8-7(9,10)6(11)5-2-1-3-12-4-5/h4,6H,1-3,11H2
InChIKeyKCHUCFHLOKSSEY-UHFFFAOYSA-N
XLogP1.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanamine (CID 55283616) is 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanamine is NC(C1=COCCC1)C(F)(F)F.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanamine?
The InChIKey is KCHUCFHLOKSSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-7(9,10)6(11)5-2-1-3-12-4-5/h4,6H,1-3,11H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanamine?
1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethanamine has a molecular weight of 181.16 g/mol, XLogP of 1.57, 1 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)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 55283616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).