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

C11H15BrFNO — CID 142279522

IUPAC1-[4-(1-bromoethenyl)-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
SMILESC=C(F)C1=C(C(=C)Br)CCOC1CNC
InChIInChI=1S/C11H15BrFNO/c1-7(12)9-4-5-15-10(6-14-3)11(9)8(2)13/h10,14H,1-2,4-6H2,3H3
InChIKeyBHVPTWIHOWFPBX-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.68
Rot. Bonds4

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

1-[4-(1-bromoethenyl)-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine (PubChem CID 142279522) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 1-[4-(1-bromoethenyl)-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(1-bromoethenyl)-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
PubChem CID142279522
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name1-[4-(1-bromoethenyl)-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
SMILESC=C(F)C1=C(C(=C)Br)CCOC1CNC
InChIInChI=1S/C11H15BrFNO/c1-7(12)9-4-5-15-10(6-14-3)11(9)8(2)13/h10,14H,1-2,4-6H2,3H3
InChIKeyBHVPTWIHOWFPBX-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(1-bromoethenyl)-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-bromoethenyl)-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(1-bromoethenyl)-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine (CID 142279522) is 1-[4-(1-bromoethenyl)-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(1-bromoethenyl)-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(1-bromoethenyl)-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine is C=C(F)C1=C(C(=C)Br)CCOC1CNC.
What is the InChIKey of 1-[4-(1-bromoethenyl)-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
The InChIKey is BHVPTWIHOWFPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-7(12)9-4-5-15-10(6-14-3)11(9)8(2)13/h10,14H,1-2,4-6H2,3H3.
What are the key properties of 1-[4-(1-bromoethenyl)-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
1-[4-(1-bromoethenyl)-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine has a molecular weight of 276.15 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-bromoethenyl)-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine is sourced from PubChem (CID 142279522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).