6-fluoro-5-(trifluoromethyl)-2,3-dihydropyridine

C6H5F4N — CID 123936766

IUPAC6-fluoro-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESFC1=NCCC=C1C(F)(F)F
InChIInChI=1S/C6H5F4N/c7-5-4(6(8,9)10)2-1-3-11-5/h2H,1,3H2
InChIKeyQLQIZZDECRGPIL-UHFFFAOYSA-N
MW167.11 g/mol
LogP2.25
Rot. Bonds

About 6-fluoro-5-(trifluoromethyl)-2,3-dihydropyridine

6-fluoro-5-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 123936766) has the molecular formula C6H5F4N and a molecular weight of 167.11 g/mol. Its IUPAC name is 6-fluoro-5-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name6-fluoro-5-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID123936766
Molecular FormulaC6H5F4N
Molecular Weight167.11 g/mol
Exact Mass167.04
IUPAC Name6-fluoro-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESFC1=NCCC=C1C(F)(F)F
InChIInChI=1S/C6H5F4N/c7-5-4(6(8,9)10)2-1-3-11-5/h2H,1,3H2
InChIKeyQLQIZZDECRGPIL-UHFFFAOYSA-N
XLogP2.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.11
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(trifluoromethyl)-3H-pyridin-1-ium
CID 57085904
5-(trifluoromethyl)-3H-pyridin-1-ium
CID 57189778
5-(Trifluoromethyl)-2,3-dihydropyridine
CID 68374416
4,6-Bis(trifluoromethyl)-2,3-dihydropyridine
CID 141238199
2,3,5,6-Tetrafluoro-2,3-dihydropyridine
CID 163501932
6-Chloro-5-(trifluoromethyl)-2,3-dihydropyridine
CID 147904099
4-(Difluoromethyl)-6-fluoro-2,3-dihydropyridine
CID 162611855

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 6-fluoro-5-(trifluoromethyl)-2,3-dihydropyridine (CID 123936766) is 6-fluoro-5-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 6-fluoro-5-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 6-fluoro-5-(trifluoromethyl)-2,3-dihydropyridine is FC1=NCCC=C1C(F)(F)F.
What is the InChIKey of 6-fluoro-5-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is QLQIZZDECRGPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4N/c7-5-4(6(8,9)10)2-1-3-11-5/h2H,1,3H2.
What are the key properties of 6-fluoro-5-(trifluoromethyl)-2,3-dihydropyridine?
6-fluoro-5-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 167.11 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 123936766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).