2,2,3,3,4,4,5,5,6-nonafluoropyridine

C5F9N — CID 11021153

IUPAC2,2,3,3,4,4,5,5,6-nonafluoropyridine
SMILESFC1=NC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5F9N/c6-1-2(7,8)3(9,10)4(11,12)5(13,14)15-1
InChIKeyKKDUBJRAIPBPLA-UHFFFAOYSA-N
MW245.04 g/mol
LogP2.87
Rot. Bonds

About 2,2,3,3,4,4,5,5,6-nonafluoropyridine

2,2,3,3,4,4,5,5,6-nonafluoropyridine (PubChem CID 11021153) has the molecular formula C5F9N and a molecular weight of 245.04 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6-nonafluoropyridine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6-nonafluoropyridine
PubChem CID11021153
Molecular FormulaC5F9N
Molecular Weight245.04 g/mol
Exact Mass244.99
IUPAC Name2,2,3,3,4,4,5,5,6-nonafluoropyridine
SMILESFC1=NC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5F9N/c6-1-2(7,8)3(9,10)4(11,12)5(13,14)15-1
InChIKeyKKDUBJRAIPBPLA-UHFFFAOYSA-N
XLogP2.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.04
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 139346859
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
(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
1,1,2,2,3,3,4,4,5,8-decafluoro-6-methylnaphthalene
CID 169082676
2,4,4,6-tetrafluoro-1H-1,3,5-triazine
CID 45090596
1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-dimethylcyclohexane;ethane;1,2,3,4,5,6-hexafluorobenzene
CID 156740763
3,4,5,5,6,6,7,7,8,8-decafluoroquinolin-2-amine
CID 162535838
1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)sulfanylcyclobutane
CID 91739038

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6-nonafluoropyridine?
The IUPAC name of 2,2,3,3,4,4,5,5,6-nonafluoropyridine (CID 11021153) is 2,2,3,3,4,4,5,5,6-nonafluoropyridine.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6-nonafluoropyridine?
The canonical SMILES for 2,2,3,3,4,4,5,5,6-nonafluoropyridine is FC1=NC(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6-nonafluoropyridine?
The InChIKey is KKDUBJRAIPBPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F9N/c6-1-2(7,8)3(9,10)4(11,12)5(13,14)15-1.
What are the key properties of 2,2,3,3,4,4,5,5,6-nonafluoropyridine?
2,2,3,3,4,4,5,5,6-nonafluoropyridine has a molecular weight of 245.04 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6-nonafluoropyridine is sourced from PubChem (CID 11021153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).