7-(3,4-difluorophenyl)-2-ethyl-1,9-difluorophenanthrene

C22H14F4 — CID 139883287

IUPAC7-(3,4-difluorophenyl)-2-ethyl-1,9-difluorophenanthrene
SMILESCCc1ccc2c(cc(F)c3cc(-c4ccc(F)c(F)c4)ccc32)c1F
InChIInChI=1S/C22H14F4/c1-2-12-3-6-16-15-7-4-13(14-5-8-19(23)21(25)10-14)9-17(15)20(24)11-18(16)22(12)26/h3-11H,2H2,1H3
InChIKeyGLQQYMGQFJLSIC-UHFFFAOYSA-N
MW354.35 g/mol
LogP6.78
Rot. Bonds2

About 7-(3,4-difluorophenyl)-2-ethyl-1,9-difluorophenanthrene

7-(3,4-difluorophenyl)-2-ethyl-1,9-difluorophenanthrene (PubChem CID 139883287) has the molecular formula C22H14F4 and a molecular weight of 354.35 g/mol. Its IUPAC name is 7-(3,4-difluorophenyl)-2-ethyl-1,9-difluorophenanthrene.

Molecular Properties

Compound Name7-(3,4-difluorophenyl)-2-ethyl-1,9-difluorophenanthrene
PubChem CID139883287
Molecular FormulaC22H14F4
Molecular Weight354.35 g/mol
Exact Mass354.10
IUPAC Name7-(3,4-difluorophenyl)-2-ethyl-1,9-difluorophenanthrene
SMILESCCc1ccc2c(cc(F)c3cc(-c4ccc(F)c(F)c4)ccc32)c1F
InChIInChI=1S/C22H14F4/c1-2-12-3-6-16-15-7-4-13(14-5-8-19(23)21(25)10-14)9-17(15)20(24)11-18(16)22(12)26/h3-11H,2H2,1H3
InChIKeyGLQQYMGQFJLSIC-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.35
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-(3,4-difluorophenyl)-2-ethyl-1,9-difluorophenanthrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4-chloro-3-fluorophenyl)-1,9-difluoro-2-propylphenanthrene
CID 22044692
5-(3,4-difluorophenyl)-2-ethylaniline
CID 82082698
7-(4-chloro-3,5-difluorophenyl)-1,9-difluoro-2-pentylphenanthrene
CID 139884018
2-butyl-1,9-difluoro-7-[3-fluoro-4-(trifluoromethyl)phenyl]phenanthrene
CID 139884213
7-(4-chloro-3-fluorophenyl)-1,9-difluoro-2-hexylphenanthrene
CID 139884181
2-butyl-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,9-difluorophenanthrene
CID 139883815
1,9-difluoro-2-propyl-7-[4-(trifluoromethoxy)phenyl]phenanthrene
CID 22045652
2-butyl-1,9-difluoro-7-[4-(trifluoromethoxy)phenyl]phenanthrene
CID 139884143
7-[4-(difluoromethoxy)phenyl]-1,9-difluoro-2-hexylphenanthrene
CID 139884419
2-ethyl-1-fluoro-6-(4-methoxyphenyl)naphthalene
CID 139860447
4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene
CID 18984130
3-bromo-1-ethyl-2,4-difluorobenzene
CID 126670968

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-difluorophenyl)-2-ethyl-1,9-difluorophenanthrene?
The IUPAC name of 7-(3,4-difluorophenyl)-2-ethyl-1,9-difluorophenanthrene (CID 139883287) is 7-(3,4-difluorophenyl)-2-ethyl-1,9-difluorophenanthrene.
What is the SMILES notation for 7-(3,4-difluorophenyl)-2-ethyl-1,9-difluorophenanthrene?
The canonical SMILES for 7-(3,4-difluorophenyl)-2-ethyl-1,9-difluorophenanthrene is CCc1ccc2c(cc(F)c3cc(-c4ccc(F)c(F)c4)ccc32)c1F.
What is the InChIKey of 7-(3,4-difluorophenyl)-2-ethyl-1,9-difluorophenanthrene?
The InChIKey is GLQQYMGQFJLSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4/c1-2-12-3-6-16-15-7-4-13(14-5-8-19(23)21(25)10-14)9-17(15)20(24)11-18(16)22(12)26/h3-11H,2H2,1H3.
What are the key properties of 7-(3,4-difluorophenyl)-2-ethyl-1,9-difluorophenanthrene?
7-(3,4-difluorophenyl)-2-ethyl-1,9-difluorophenanthrene has a molecular weight of 354.35 g/mol, XLogP of 6.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-difluorophenyl)-2-ethyl-1,9-difluorophenanthrene is sourced from PubChem (CID 139883287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).