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

C30H14F34N2O2 — CID 24769912

IUPAC4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-pyridinyl]pyridine
SMILESFC(F)(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)F)ccn2)c1
InChIInChI=1S/C30H14F34N2O2/c31-15(32,17(35,36)19(39,40)21(43,44)23(47,48)25(51,52)27(55,56)29(59,60)61)9-67-7-11-1-3-65-13(5-11)14-6-12(2-4-66-14)8-68-10-16(33,34)18(37,38)20(41,42)22(45,46)24(49,50)26(53,54)28(57,58)30(62,63)64/h1-6H,7-10H2
InChIKeyUMAZFJVSHMNBRT-UHFFFAOYSA-N
MW1080.39 g/mol
LogP13.20
Rot. Bonds21

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

4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-pyridinyl]pyridine (PubChem CID 24769912) has the molecular formula C30H14F34N2O2 and a molecular weight of 1080.39 g/mol. Its IUPAC name is 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-pyridinyl]pyridine
PubChem CID24769912
Molecular FormulaC30H14F34N2O2
Molecular Weight1080.39 g/mol
Exact Mass1080.05
IUPAC Name4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-pyridinyl]pyridine
SMILESFC(F)(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)F)ccn2)c1
InChIInChI=1S/C30H14F34N2O2/c31-15(32,17(35,36)19(39,40)21(43,44)23(47,48)25(51,52)27(55,56)29(59,60)61)9-67-7-11-1-3-65-13(5-11)14-6-12(2-4-66-14)8-68-10-16(33,34)18(37,38)20(41,42)22(45,46)24(49,50)26(53,54)28(57,58)30(62,63)64/h1-6H,7-10H2
InChIKeyUMAZFJVSHMNBRT-UHFFFAOYSA-N
XLogP13.20
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001080.39
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-(prop-2-enoxymethyl)-2-[4-(prop-2-enoxymethyl)-2-pyridinyl]pyridine
CID 102298376
2-chloro-4-(2,2,2-trifluoroethoxymethyl)pyridine
CID 62470096
CID 158938378
CID 158938378
[4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine
CID 102432953
3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)thiophene
CID 46934302
3-(2,2,3,3,3-pentafluoropropoxymethyl)aniline
CID 15084974
4-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)phenyl]phenol
CID 54382893
3-chloro-4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)benzoic acid
CID 54355557
N-propyl-4-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
CID 62463881
2-(4-pyridin-2-ylphenyl)-4,6-bis(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-1,3,5-triazine
CID 176747311
[2-[4-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-pyridinyl]-4-pyridinyl]methyl 2-bromo-2-methylpropanoate
CID 101079210

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-pyridinyl]pyridine?
The IUPAC name of 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-pyridinyl]pyridine (CID 24769912) is 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-pyridinyl]pyridine?
The canonical SMILES for 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-pyridinyl]pyridine is FC(F)(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)F)ccn2)c1.
What is the InChIKey of 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-pyridinyl]pyridine?
The InChIKey is UMAZFJVSHMNBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H14F34N2O2/c31-15(32,17(35,36)19(39,40)21(43,44)23(47,48)25(51,52)27(55,56)29(59,60)61)9-67-7-11-1-3-65-13(5-11)14-6-12(2-4-66-14)8-68-10-16(33,34)18(37,38)20(41,42)22(45,46)24(49,50)26(53,54)28(57,58)30(62,63)64/h1-6H,7-10H2.
What are the key properties of 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-pyridinyl]pyridine?
4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-pyridinyl]pyridine has a molecular weight of 1080.39 g/mol, XLogP of 13.20, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxymethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 24769912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).