3-(cyclododecahexaenyl)-5-fluoropyridine

C17H14FN — CID 174005986

IUPAC3-(cyclododecahexaenyl)-5-fluoropyridine
SMILESFc1cncc(C2=C/C=C\C=C/C=C\C=C/C=C2)c1
InChIInChI=1S/C17H14FN/c18-17-12-16(13-19-14-17)15-10-8-6-4-2-1-3-5-7-9-11-15/h1-14H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,9-7?,10-8?,11-9?,15-10?,15-11?
InChIKeyJNFJGUPKJFMFKR-HWQILMGASA-N
MW251.30 g/mol
LogP4.40
Rot. Bonds1

About 3-(cyclododecahexaenyl)-5-fluoropyridine

3-(cyclododecahexaenyl)-5-fluoropyridine (PubChem CID 174005986) has the molecular formula C17H14FN and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-(cyclododecahexaenyl)-5-fluoropyridine.

Molecular Properties

Compound Name3-(cyclododecahexaenyl)-5-fluoropyridine
PubChem CID174005986
Molecular FormulaC17H14FN
Molecular Weight251.30 g/mol
Exact Mass251.11
IUPAC Name3-(cyclododecahexaenyl)-5-fluoropyridine
SMILESFc1cncc(C2=C/C=C\C=C/C=C\C=C/C=C2)c1
InChIInChI=1S/C17H14FN/c18-17-12-16(13-19-14-17)15-10-8-6-4-2-1-3-5-7-9-11-15/h1-14H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,9-7?,10-8?,11-9?,15-10?,15-11?
InChIKeyJNFJGUPKJFMFKR-HWQILMGASA-N
XLogP4.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclododecahexaenyl)-5-fluoropyridine?
The IUPAC name of 3-(cyclododecahexaenyl)-5-fluoropyridine (CID 174005986) is 3-(cyclododecahexaenyl)-5-fluoropyridine.
What is the SMILES notation for 3-(cyclododecahexaenyl)-5-fluoropyridine?
The canonical SMILES for 3-(cyclododecahexaenyl)-5-fluoropyridine is Fc1cncc(C2=C/C=C\C=C/C=C\C=C/C=C2)c1.
What is the InChIKey of 3-(cyclododecahexaenyl)-5-fluoropyridine?
The InChIKey is JNFJGUPKJFMFKR-HWQILMGASA-N. The full InChI is InChI=1S/C17H14FN/c18-17-12-16(13-19-14-17)15-10-8-6-4-2-1-3-5-7-9-11-15/h1-14H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,9-7?,10-8?,11-9?,15-10?,15-11?.
What are the key properties of 3-(cyclododecahexaenyl)-5-fluoropyridine?
3-(cyclododecahexaenyl)-5-fluoropyridine has a molecular weight of 251.30 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclododecahexaenyl)-5-fluoropyridine is sourced from PubChem (CID 174005986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).