4-fluoropyrene

C16H9F — CID 15263498

IUPAC4-fluoropyrene
SMILESFc1cc2cccc3ccc4cccc1c4c32
InChIInChI=1S/C16H9F/c17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H
InChIKeyCZIKMWRETXSIHD-UHFFFAOYSA-N
MW220.25 g/mol
LogP4.72
Rot. Bonds

About 4-fluoropyrene

4-fluoropyrene (PubChem CID 15263498) has the molecular formula C16H9F and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-fluoropyrene.

Molecular Properties

Compound Name4-fluoropyrene
PubChem CID15263498
Molecular FormulaC16H9F
Molecular Weight220.25 g/mol
Exact Mass220.07
IUPAC Name4-fluoropyrene
SMILESFc1cc2cccc3ccc4cccc1c4c32
InChIInChI=1S/C16H9F/c17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H
InChIKeyCZIKMWRETXSIHD-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-fluoropyrene
CID 139789951
2-fluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1,3,5,7(16),8,10(15),11,13,17,19-decaene
CID 102112728
4-bromopyrene
CID 3014036
octacyclo[19.7.1.114,18.02,19.04,17.07,16.010,15.025,29]triaconta-1(28),2,4(17),5,7(16),8,10(15),11,13,18(30),19,21,23,25(29),26-pentadecaene
CID 21087928
hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene
CID 172997689
1-pyren-4-ylpyrene
CID 71343129
4-(2-pyren-4-ylethynyl)pyrene
CID 86240868
3-fluoroperylene
CID 10978520
1,4-difluorobenzo[c]phenanthrene
CID 14938397
heptacyclo[18.6.2.02,15.03,8.09,14.017,27.024,28]octacosa-1(27),2(15),3,5,7,9,11,13,16,18,20(28),21,23,25-tetradecaene
CID 15820916
4-[3-[3,5-di(pyren-4-yl)phenyl]-5-pyren-4-ylphenyl]pyrene
CID 140757115
benzo[e]pyrene
CID 9128

Frequently Asked Questions

What is the IUPAC name of 4-fluoropyrene?
The IUPAC name of 4-fluoropyrene (CID 15263498) is 4-fluoropyrene.
What is the SMILES notation for 4-fluoropyrene?
The canonical SMILES for 4-fluoropyrene is Fc1cc2cccc3ccc4cccc1c4c32.
What is the InChIKey of 4-fluoropyrene?
The InChIKey is CZIKMWRETXSIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F/c17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H.
What are the key properties of 4-fluoropyrene?
4-fluoropyrene has a molecular weight of 220.25 g/mol, XLogP of 4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoropyrene is sourced from PubChem (CID 15263498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).