3-fluoroperylene

C20H11F — CID 10978520

IUPAC3-fluoroperylene
SMILESFc1ccc2c3cccc4cccc(c5cccc1c52)c43
InChIInChI=1S/C20H11F/c21-18-11-10-16-14-7-2-5-12-4-1-6-13(19(12)14)15-8-3-9-17(18)20(15)16/h1-11H
InChIKeyKHQVINBSTARIFR-UHFFFAOYSA-N
MW270.31 g/mol
LogP5.88
Rot. Bonds

About 3-fluoroperylene

3-fluoroperylene (PubChem CID 10978520) has the molecular formula C20H11F and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-fluoroperylene.

Molecular Properties

Compound Name3-fluoroperylene
PubChem CID10978520
Molecular FormulaC20H11F
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name3-fluoroperylene
SMILESFc1ccc2c3cccc4cccc(c5cccc1c52)c43
InChIInChI=1S/C20H11F/c21-18-11-10-16-14-7-2-5-12-4-1-6-13(19(12)14)15-8-3-9-17(18)20(15)16/h1-11H
InChIKeyKHQVINBSTARIFR-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.31
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
CID 86057292
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1,5,6-trifluorophenanthrene
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tridecacyclo[26.12.2.25,8.19,13.129,33.02,24.04,22.06,21.07,18.025,41.038,42.017,44.037,43]hexatetraconta-1(41),2(24),3,5,7,9,11,13(44),14,16,18,20,22,25,27,29,31,33(43),34,36,38(42),39,45-tricosaene
CID 123956616
6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine
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1-chloro-4-fluorobenzo[c]phenanthrene
CID 11108760
3-perylen-3-yloxyperylene
CID 174459664
4-fluoropyrene
CID 15263498
undecacyclo[23.13.1.126,30.02,23.03,12.06,11.010,15.013,22.014,19.035,39.034,40]tetraconta-1(38),2,4,6(11),7,9,12,14(19),15,17,20,22,24,26,28,30(40),31,33,35(39),36-icosaene
CID 12771537
decacyclo[19.13.1.122,26.02,7.03,20.04,17.05,14.06,11.031,35.030,36]hexatriaconta-1(34),2,4(17),5(14),6(11),7,9,12,15,18,20,22,24,26(36),27,29,31(35),32-octadecaene
CID 14087516
3-butan-2-ylperylene
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Frequently Asked Questions

What is the IUPAC name of 3-fluoroperylene?
The IUPAC name of 3-fluoroperylene (CID 10978520) is 3-fluoroperylene.
What is the SMILES notation for 3-fluoroperylene?
The canonical SMILES for 3-fluoroperylene is Fc1ccc2c3cccc4cccc(c5cccc1c52)c43.
What is the InChIKey of 3-fluoroperylene?
The InChIKey is KHQVINBSTARIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F/c21-18-11-10-16-14-7-2-5-12-4-1-6-13(19(12)14)15-8-3-9-17(18)20(15)16/h1-11H.
What are the key properties of 3-fluoroperylene?
3-fluoroperylene has a molecular weight of 270.31 g/mol, XLogP of 5.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroperylene is sourced from PubChem (CID 10978520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).