2,2-dichloro-3,3,4,4,5,5,6-heptafluoropyridine

C5Cl2F7N — CID 162536645

IUPAC2,2-dichloro-3,3,4,4,5,5,6-heptafluoropyridine
SMILESFC1=NC(Cl)(Cl)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5Cl2F7N/c6-5(7)4(13,14)3(11,12)2(9,10)1(8)15-5
InChIKeyVESNNJUSLXONBP-UHFFFAOYSA-N
MW277.95 g/mol
LogP3.41
Rot. Bonds

About 2,2-dichloro-3,3,4,4,5,5,6-heptafluoropyridine

2,2-dichloro-3,3,4,4,5,5,6-heptafluoropyridine (PubChem CID 162536645) has the molecular formula C5Cl2F7N and a molecular weight of 277.95 g/mol. Its IUPAC name is 2,2-dichloro-3,3,4,4,5,5,6-heptafluoropyridine.

Molecular Properties

Compound Name2,2-dichloro-3,3,4,4,5,5,6-heptafluoropyridine
PubChem CID162536645
Molecular FormulaC5Cl2F7N
Molecular Weight277.95 g/mol
Exact Mass276.93
IUPAC Name2,2-dichloro-3,3,4,4,5,5,6-heptafluoropyridine
SMILESFC1=NC(Cl)(Cl)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5Cl2F7N/c6-5(7)4(13,14)3(11,12)2(9,10)1(8)15-5
InChIKeyVESNNJUSLXONBP-UHFFFAOYSA-N
XLogP3.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.95
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,4,4,5,5,6-nonafluoropyridine
CID 11021153
(1Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluorocyclodecene
CID 139346859
1-chloro-1,2,2,3,3-pentafluorocyclopropane
CID 23233207
1,2,3,3,4,4,5,5-octafluorocyclopentene
CID 11212
2,3-difluoro-2-(trifluoromethyl)azirine
CID 6420998
1,2-dibromo-3,3,4,4,5,5,6,6-octafluorocyclohexene
CID 23233739
2-bromo-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one
CID 10589480
5-chloro-1,2,3,4,5-pentafluorocyclopenta-1,3-diene
CID 14024623
3,4,5,6-tetrachloro-1,2,3,4,5,6-hexafluorocyclohexene
CID 175040926
1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane
CID 139815776
(1Z,5Z)-1,2,3,3,4,4,5,6,7,7,8,8-dodecafluorocycloocta-1,5-diene;platinum
CID 87582607
1,3,3,4,4,5,5,6,6-nonafluoro-2-(2,3,4,5,6-pentafluorophenyl)cyclohexene
CID 13226577

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-3,3,4,4,5,5,6-heptafluoropyridine?
The IUPAC name of 2,2-dichloro-3,3,4,4,5,5,6-heptafluoropyridine (CID 162536645) is 2,2-dichloro-3,3,4,4,5,5,6-heptafluoropyridine.
What is the SMILES notation for 2,2-dichloro-3,3,4,4,5,5,6-heptafluoropyridine?
The canonical SMILES for 2,2-dichloro-3,3,4,4,5,5,6-heptafluoropyridine is FC1=NC(Cl)(Cl)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2-dichloro-3,3,4,4,5,5,6-heptafluoropyridine?
The InChIKey is VESNNJUSLXONBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl2F7N/c6-5(7)4(13,14)3(11,12)2(9,10)1(8)15-5.
What are the key properties of 2,2-dichloro-3,3,4,4,5,5,6-heptafluoropyridine?
2,2-dichloro-3,3,4,4,5,5,6-heptafluoropyridine has a molecular weight of 277.95 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-3,3,4,4,5,5,6-heptafluoropyridine is sourced from PubChem (CID 162536645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).