1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoro-N-methylethanamine

C8H13F2NO — CID 103517268

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoro-N-methylethanamine
SMILESCNC(C1=CCCCO1)C(F)F
InChIInChI=1S/C8H13F2NO/c1-11-7(8(9)10)6-4-2-3-5-12-6/h4,7-8,11H,2-3,5H2,1H3
InChIKeyXQYZFYAJGMBCTL-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.53
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoro-N-methylethanamine

1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoro-N-methylethanamine (PubChem CID 103517268) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoro-N-methylethanamine
PubChem CID103517268
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoro-N-methylethanamine
SMILESCNC(C1=CCCCO1)C(F)F
InChIInChI=1S/C8H13F2NO/c1-11-7(8(9)10)6-4-2-3-5-12-6/h4,7-8,11H,2-3,5H2,1H3
InChIKeyXQYZFYAJGMBCTL-UHFFFAOYSA-N
XLogP1.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoro-N-methylethanamine 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-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoro-N-methylethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoro-N-methylethanamine (CID 103517268) is 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoro-N-methylethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoro-N-methylethanamine is CNC(C1=CCCCO1)C(F)F.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoro-N-methylethanamine?
The InChIKey is XQYZFYAJGMBCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-11-7(8(9)10)6-4-2-3-5-12-6/h4,7-8,11H,2-3,5H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoro-N-methylethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoro-N-methylethanamine has a molecular weight of 177.19 g/mol, XLogP of 1.53, 3 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)-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 103517268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).