1-(2,2-difluoroethyl)-2-(2-fluoro-6-prop-2-ynoxyphenyl)-6-methylidenepyridine

C17H14F3NO — CID 158087152

IUPAC1-(2,2-difluoroethyl)-2-(2-fluoro-6-prop-2-ynoxyphenyl)-6-methylidenepyridine
SMILESC#CCOc1cccc(F)c1C1=CC=CC(=C)N1CC(F)F
InChIInChI=1S/C17H14F3NO/c1-3-10-22-15-9-5-7-13(18)17(15)14-8-4-6-12(2)21(14)11-16(19)20/h1,4-9,16H,2,10-11H2
InChIKeyMGXLAJPRTHLOGT-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.83
Rot. Bonds5

About 1-(2,2-difluoroethyl)-2-(2-fluoro-6-prop-2-ynoxyphenyl)-6-methylidenepyridine

1-(2,2-difluoroethyl)-2-(2-fluoro-6-prop-2-ynoxyphenyl)-6-methylidenepyridine (PubChem CID 158087152) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-(2-fluoro-6-prop-2-ynoxyphenyl)-6-methylidenepyridine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-(2-fluoro-6-prop-2-ynoxyphenyl)-6-methylidenepyridine
PubChem CID158087152
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name1-(2,2-difluoroethyl)-2-(2-fluoro-6-prop-2-ynoxyphenyl)-6-methylidenepyridine
SMILESC#CCOc1cccc(F)c1C1=CC=CC(=C)N1CC(F)F
InChIInChI=1S/C17H14F3NO/c1-3-10-22-15-9-5-7-13(18)17(15)14-8-4-6-12(2)21(14)11-16(19)20/h1,4-9,16H,2,10-11H2
InChIKeyMGXLAJPRTHLOGT-UHFFFAOYSA-N
XLogP3.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2-(2-fluoro-6-prop-2-ynoxyphenyl)-6-methylidenepyridine?
The IUPAC name of 1-(2,2-difluoroethyl)-2-(2-fluoro-6-prop-2-ynoxyphenyl)-6-methylidenepyridine (CID 158087152) is 1-(2,2-difluoroethyl)-2-(2-fluoro-6-prop-2-ynoxyphenyl)-6-methylidenepyridine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-(2-fluoro-6-prop-2-ynoxyphenyl)-6-methylidenepyridine?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-(2-fluoro-6-prop-2-ynoxyphenyl)-6-methylidenepyridine is C#CCOc1cccc(F)c1C1=CC=CC(=C)N1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-(2-fluoro-6-prop-2-ynoxyphenyl)-6-methylidenepyridine?
The InChIKey is MGXLAJPRTHLOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO/c1-3-10-22-15-9-5-7-13(18)17(15)14-8-4-6-12(2)21(14)11-16(19)20/h1,4-9,16H,2,10-11H2.
What are the key properties of 1-(2,2-difluoroethyl)-2-(2-fluoro-6-prop-2-ynoxyphenyl)-6-methylidenepyridine?
1-(2,2-difluoroethyl)-2-(2-fluoro-6-prop-2-ynoxyphenyl)-6-methylidenepyridine has a molecular weight of 305.30 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-(2-fluoro-6-prop-2-ynoxyphenyl)-6-methylidenepyridine is sourced from PubChem (CID 158087152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).