4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-pyridinyl]pyridine

C30H16F32N2O2 — CID 23624364

IUPAC4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-pyridinyl]pyridine
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCc1ccnc(-c2cc(COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)ccn2)c1
InChIInChI=1S/C30H16F32N2O2/c31-15(32)19(39,40)23(47,48)27(55,56)29(59,60)25(51,52)21(43,44)17(35,36)9-65-7-11-1-3-63-13(5-11)14-6-12(2-4-64-14)8-66-10-18(37,38)22(45,46)26(53,54)30(61,62)28(57,58)24(49,50)20(41,42)16(33)34/h1-6,15-16H,7-10H2
InChIKeyYMOFWVHKSFYWDQ-UHFFFAOYSA-N
MW1044.41 g/mol
LogP12.60
Rot. Bonds23

About 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-pyridinyl]pyridine

4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-pyridinyl]pyridine (PubChem CID 23624364) has the molecular formula C30H16F32N2O2 and a molecular weight of 1044.41 g/mol. Its IUPAC name is 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-pyridinyl]pyridine
PubChem CID23624364
Molecular FormulaC30H16F32N2O2
Molecular Weight1044.41 g/mol
Exact Mass1044.07
IUPAC Name4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-pyridinyl]pyridine
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCc1ccnc(-c2cc(COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)ccn2)c1
InChIInChI=1S/C30H16F32N2O2/c31-15(32)19(39,40)23(47,48)27(55,56)29(59,60)25(51,52)21(43,44)17(35,36)9-65-7-11-1-3-63-13(5-11)14-6-12(2-4-64-14)8-66-10-18(37,38)22(45,46)26(53,54)30(61,62)28(57,58)24(49,50)20(41,42)16(33)34/h1-6,15-16H,7-10H2
InChIKeyYMOFWVHKSFYWDQ-UHFFFAOYSA-N
XLogP12.60
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001044.41
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-pyridinyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-pyridinyl]pyridine?
The IUPAC name of 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-pyridinyl]pyridine (CID 23624364) is 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-pyridinyl]pyridine?
The canonical SMILES for 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-pyridinyl]pyridine is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCc1ccnc(-c2cc(COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)ccn2)c1.
What is the InChIKey of 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-pyridinyl]pyridine?
The InChIKey is YMOFWVHKSFYWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16F32N2O2/c31-15(32)19(39,40)23(47,48)27(55,56)29(59,60)25(51,52)21(43,44)17(35,36)9-65-7-11-1-3-63-13(5-11)14-6-12(2-4-64-14)8-66-10-18(37,38)22(45,46)26(53,54)30(61,62)28(57,58)24(49,50)20(41,42)16(33)34/h1-6,15-16H,7-10H2.
What are the key properties of 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-pyridinyl]pyridine?
4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-pyridinyl]pyridine has a molecular weight of 1044.41 g/mol, XLogP of 12.60, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxymethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 23624364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).