1,4-difluorobenzo[c]phenanthrene

C18H10F2 — CID 14938397

IUPAC1,4-difluorobenzo[c]phenanthrene
SMILESFc1ccc(F)c2c1ccc1ccc3ccccc3c12
InChIInChI=1S/C18H10F2/c19-15-9-10-16(20)18-14(15)8-7-12-6-5-11-3-1-2-4-13(11)17(12)18/h1-10H
InChIKeyVGBSEWFDAGCUAY-UHFFFAOYSA-N
MW264.27 g/mol
LogP5.42
Rot. Bonds

About 1,4-difluorobenzo[c]phenanthrene

1,4-difluorobenzo[c]phenanthrene (PubChem CID 14938397) has the molecular formula C18H10F2 and a molecular weight of 264.27 g/mol. Its IUPAC name is 1,4-difluorobenzo[c]phenanthrene.

Molecular Properties

Compound Name1,4-difluorobenzo[c]phenanthrene
PubChem CID14938397
Molecular FormulaC18H10F2
Molecular Weight264.27 g/mol
Exact Mass264.08
IUPAC Name1,4-difluorobenzo[c]phenanthrene
SMILESFc1ccc(F)c2c1ccc1ccc3ccccc3c12
InChIInChI=1S/C18H10F2/c19-15-9-10-16(20)18-14(15)8-7-12-6-5-11-3-1-2-4-13(11)17(12)18/h1-10H
InChIKeyVGBSEWFDAGCUAY-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.27
LogP ≤ 55.42
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-4-fluorobenzo[c]phenanthrene
CID 11108760
6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine
CID 176881362
3-fluoroperylene
CID 10978520
1-fluoro-6-(10-phenylanthracen-9-yl)pyrene
CID 167155180
benzo[c]phenanthrene;chrysene
CID 161372898
benzo[c]phenanthrene;tris(triphenylene)
CID 157372160
heptacyclo[16.12.0.02,15.03,12.04,9.020,29.021,26]triaconta-1(30),2(15),3(12),4,6,8,10,13,16,18,20(29),21,23,25,27-pentadecaene
CID 155637443
5-(4-chlorophenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 177100588
pentacyclo[8.8.0.02,7.03,16.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene
CID 163289904
1,2-difluorochrysene
CID 86208925
4-fluoropyrene
CID 15263498
13,14,15,16-tetrafluorohexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene
CID 11304127

Frequently Asked Questions

What is the IUPAC name of 1,4-difluorobenzo[c]phenanthrene?
The IUPAC name of 1,4-difluorobenzo[c]phenanthrene (CID 14938397) is 1,4-difluorobenzo[c]phenanthrene.
What is the SMILES notation for 1,4-difluorobenzo[c]phenanthrene?
The canonical SMILES for 1,4-difluorobenzo[c]phenanthrene is Fc1ccc(F)c2c1ccc1ccc3ccccc3c12.
What is the InChIKey of 1,4-difluorobenzo[c]phenanthrene?
The InChIKey is VGBSEWFDAGCUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F2/c19-15-9-10-16(20)18-14(15)8-7-12-6-5-11-3-1-2-4-13(11)17(12)18/h1-10H.
What are the key properties of 1,4-difluorobenzo[c]phenanthrene?
1,4-difluorobenzo[c]phenanthrene has a molecular weight of 264.27 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluorobenzo[c]phenanthrene is sourced from PubChem (CID 14938397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).