1-[(6S)-4,5-bis(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine

C11H15F2NO — CID 134224607

IUPAC1-[(6S)-4,5-bis(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
SMILESC=C(F)C1=C(C(=C)F)[C@@H](CNC)OCC1
InChIInChI=1S/C11H15F2NO/c1-7(12)9-4-5-15-10(6-14-3)11(9)8(2)13/h10,14H,1-2,4-6H2,3H3/t10-/m1/s1
InChIKeyBLXKDLDXTJKAEQ-SNVBAGLBSA-N
MW215.24 g/mol
LogP2.26
Rot. Bonds4

About 1-[(6S)-4,5-bis(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine

1-[(6S)-4,5-bis(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine (PubChem CID 134224607) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-[(6S)-4,5-bis(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(6S)-4,5-bis(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
PubChem CID134224607
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-[(6S)-4,5-bis(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
SMILESC=C(F)C1=C(C(=C)F)[C@@H](CNC)OCC1
InChIInChI=1S/C11H15F2NO/c1-7(12)9-4-5-15-10(6-14-3)11(9)8(2)13/h10,14H,1-2,4-6H2,3H3/t10-/m1/s1
InChIKeyBLXKDLDXTJKAEQ-SNVBAGLBSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-4,5-bis(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
The IUPAC name of 1-[(6S)-4,5-bis(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine (CID 134224607) is 1-[(6S)-4,5-bis(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(6S)-4,5-bis(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(6S)-4,5-bis(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine is C=C(F)C1=C(C(=C)F)[C@@H](CNC)OCC1.
What is the InChIKey of 1-[(6S)-4,5-bis(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
The InChIKey is BLXKDLDXTJKAEQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7(12)9-4-5-15-10(6-14-3)11(9)8(2)13/h10,14H,1-2,4-6H2,3H3/t10-/m1/s1.
What are the key properties of 1-[(6S)-4,5-bis(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
1-[(6S)-4,5-bis(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine has a molecular weight of 215.24 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-4,5-bis(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine is sourced from PubChem (CID 134224607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).