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

C11H15ClFNO — CID 142279447

IUPAC1-[3-chloro-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
SMILESC=CC1=C(C(=C)F)C(CNC)OCC1Cl
InChIInChI=1S/C11H15ClFNO/c1-4-8-9(12)6-15-10(5-14-3)11(8)7(2)13/h4,9-10,14H,1-2,5-6H2,3H3
InChIKeyQJEVKYAOIDOPCO-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.18
Rot. Bonds4

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

1-[3-chloro-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine (PubChem CID 142279447) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-[3-chloro-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
PubChem CID142279447
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name1-[3-chloro-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
SMILESC=CC1=C(C(=C)F)C(CNC)OCC1Cl
InChIInChI=1S/C11H15ClFNO/c1-4-8-9(12)6-15-10(5-14-3)11(8)7(2)13/h4,9-10,14H,1-2,5-6H2,3H3
InChIKeyQJEVKYAOIDOPCO-UHFFFAOYSA-N
XLogP2.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine (CID 142279447) is 1-[3-chloro-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine is C=CC1=C(C(=C)F)C(CNC)OCC1Cl.
What is the InChIKey of 1-[3-chloro-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
The InChIKey is QJEVKYAOIDOPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-4-8-9(12)6-15-10(5-14-3)11(8)7(2)13/h4,9-10,14H,1-2,5-6H2,3H3.
What are the key properties of 1-[3-chloro-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
1-[3-chloro-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine has a molecular weight of 231.70 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine is sourced from PubChem (CID 142279447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).