1,3-difluoro-5-methylbenzo[c]phenanthrene

C19H12F2 — CID 165349618

IUPAC1,3-difluoro-5-methylbenzo[c]phenanthrene
SMILESCc1cc2ccc3ccccc3c2c2c(F)cc(F)cc12
InChIInChI=1S/C19H12F2/c1-11-8-13-7-6-12-4-2-3-5-15(12)18(13)19-16(11)9-14(20)10-17(19)21/h2-10H,1H3
InChIKeyPHIMEZZBTJHGCB-UHFFFAOYSA-N
MW278.30 g/mol
LogP5.73
Rot. Bonds

About 1,3-difluoro-5-methylbenzo[c]phenanthrene

1,3-difluoro-5-methylbenzo[c]phenanthrene (PubChem CID 165349618) has the molecular formula C19H12F2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 1,3-difluoro-5-methylbenzo[c]phenanthrene.

Molecular Properties

Compound Name1,3-difluoro-5-methylbenzo[c]phenanthrene
PubChem CID165349618
Molecular FormulaC19H12F2
Molecular Weight278.30 g/mol
Exact Mass278.09
IUPAC Name1,3-difluoro-5-methylbenzo[c]phenanthrene
SMILESCc1cc2ccc3ccccc3c2c2c(F)cc(F)cc12
InChIInChI=1S/C19H12F2/c1-11-8-13-7-6-12-4-2-3-5-15(12)18(13)19-16(11)9-14(20)10-17(19)21/h2-10H,1H3
InChIKeyPHIMEZZBTJHGCB-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.30
LogP ≤ 55.73
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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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-methylbenzo[c]phenanthrene?
The IUPAC name of 1,3-difluoro-5-methylbenzo[c]phenanthrene (CID 165349618) is 1,3-difluoro-5-methylbenzo[c]phenanthrene.
What is the SMILES notation for 1,3-difluoro-5-methylbenzo[c]phenanthrene?
The canonical SMILES for 1,3-difluoro-5-methylbenzo[c]phenanthrene is Cc1cc2ccc3ccccc3c2c2c(F)cc(F)cc12.
What is the InChIKey of 1,3-difluoro-5-methylbenzo[c]phenanthrene?
The InChIKey is PHIMEZZBTJHGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2/c1-11-8-13-7-6-12-4-2-3-5-15(12)18(13)19-16(11)9-14(20)10-17(19)21/h2-10H,1H3.
What are the key properties of 1,3-difluoro-5-methylbenzo[c]phenanthrene?
1,3-difluoro-5-methylbenzo[c]phenanthrene has a molecular weight of 278.30 g/mol, XLogP of 5.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-methylbenzo[c]phenanthrene is sourced from PubChem (CID 165349618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).