6-chloro-4-(1,1-difluoroethyl)-2,3-dihydropyridine

C7H8ClF2N — CID 163983139

IUPAC6-chloro-4-(1,1-difluoroethyl)-2,3-dihydropyridine
SMILESCC(F)(F)C1=CC(Cl)=NCC1
InChIInChI=1S/C7H8ClF2N/c1-7(9,10)5-2-3-11-6(8)4-5/h4H,2-3H2,1H3
InChIKeyTTZLPPRYYFRQHV-UHFFFAOYSA-N
MW179.60 g/mol
LogP2.61
Rot. Bonds1

About 6-chloro-4-(1,1-difluoroethyl)-2,3-dihydropyridine

6-chloro-4-(1,1-difluoroethyl)-2,3-dihydropyridine (PubChem CID 163983139) has the molecular formula C7H8ClF2N and a molecular weight of 179.60 g/mol. Its IUPAC name is 6-chloro-4-(1,1-difluoroethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name6-chloro-4-(1,1-difluoroethyl)-2,3-dihydropyridine
PubChem CID163983139
Molecular FormulaC7H8ClF2N
Molecular Weight179.60 g/mol
Exact Mass179.03
IUPAC Name6-chloro-4-(1,1-difluoroethyl)-2,3-dihydropyridine
SMILESCC(F)(F)C1=CC(Cl)=NCC1
InChIInChI=1S/C7H8ClF2N/c1-7(9,10)5-2-3-11-6(8)4-5/h4H,2-3H2,1H3
InChIKeyTTZLPPRYYFRQHV-UHFFFAOYSA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.60
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(1,1-difluoroethyl)-2,3-dihydropyridine?
The IUPAC name of 6-chloro-4-(1,1-difluoroethyl)-2,3-dihydropyridine (CID 163983139) is 6-chloro-4-(1,1-difluoroethyl)-2,3-dihydropyridine.
What is the SMILES notation for 6-chloro-4-(1,1-difluoroethyl)-2,3-dihydropyridine?
The canonical SMILES for 6-chloro-4-(1,1-difluoroethyl)-2,3-dihydropyridine is CC(F)(F)C1=CC(Cl)=NCC1.
What is the InChIKey of 6-chloro-4-(1,1-difluoroethyl)-2,3-dihydropyridine?
The InChIKey is TTZLPPRYYFRQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF2N/c1-7(9,10)5-2-3-11-6(8)4-5/h4H,2-3H2,1H3.
What are the key properties of 6-chloro-4-(1,1-difluoroethyl)-2,3-dihydropyridine?
6-chloro-4-(1,1-difluoroethyl)-2,3-dihydropyridine has a molecular weight of 179.60 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(1,1-difluoroethyl)-2,3-dihydropyridine is sourced from PubChem (CID 163983139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).