2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-ethyl-9,10-dihydrophenanthrene

C23H17F5 — CID 139883642

IUPAC2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-ethyl-9,10-dihydrophenanthrene
SMILESCCc1ccc2c(c1)CCc1cc(-c3cc(F)c(C(F)(F)F)c(F)c3)ccc1-2
InChIInChI=1S/C23H17F5/c1-2-13-3-7-18-15(9-13)4-5-16-10-14(6-8-19(16)18)17-11-20(24)22(21(25)12-17)23(26,27)28/h3,6-12H,2,4-5H2,1H3
InChIKeyPZDCNYMELHNRDH-UHFFFAOYSA-N
MW388.38 g/mol
LogP6.98
Rot. Bonds2

About 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-ethyl-9,10-dihydrophenanthrene

2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-ethyl-9,10-dihydrophenanthrene (PubChem CID 139883642) has the molecular formula C23H17F5 and a molecular weight of 388.38 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-ethyl-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-ethyl-9,10-dihydrophenanthrene
PubChem CID139883642
Molecular FormulaC23H17F5
Molecular Weight388.38 g/mol
Exact Mass388.13
IUPAC Name2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-ethyl-9,10-dihydrophenanthrene
SMILESCCc1ccc2c(c1)CCc1cc(-c3cc(F)c(C(F)(F)F)c(F)c3)ccc1-2
InChIInChI=1S/C23H17F5/c1-2-13-3-7-18-15(9-13)4-5-16-10-14(6-8-19(16)18)17-11-20(24)22(21(25)12-17)23(26,27)28/h3,6-12H,2,4-5H2,1H3
InChIKeyPZDCNYMELHNRDH-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.38
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-ethyl-9,10-dihydrophenanthrene 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

2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9,10-dihydrophenanthrene
CID 139883992
2-(4-chloro-3-fluorophenyl)-7-ethyl-9,10-dihydrophenanthrene
CID 139883517
2-(4-chlorophenyl)-7-ethyl-9,10-dihydrophenanthrene
CID 139883299
7-butyl-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluoro-9,10-dihydrophenanthrene
CID 139883296
2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene
CID 139884423
2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene
CID 139883628
5-[4-[(4-ethylphenyl)-hydroperoxymethyl]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 54072329
2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 139883468
7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139884381
1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane
CID 159994488
7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene
CID 139883301
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-ethyl-2-fluorophenyl)-1-fluoronaphthalene
CID 139874865

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-ethyl-9,10-dihydrophenanthrene?
The IUPAC name of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-ethyl-9,10-dihydrophenanthrene (CID 139883642) is 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-ethyl-9,10-dihydrophenanthrene.
What is the SMILES notation for 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-ethyl-9,10-dihydrophenanthrene?
The canonical SMILES for 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-ethyl-9,10-dihydrophenanthrene is CCc1ccc2c(c1)CCc1cc(-c3cc(F)c(C(F)(F)F)c(F)c3)ccc1-2.
What is the InChIKey of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-ethyl-9,10-dihydrophenanthrene?
The InChIKey is PZDCNYMELHNRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F5/c1-2-13-3-7-18-15(9-13)4-5-16-10-14(6-8-19(16)18)17-11-20(24)22(21(25)12-17)23(26,27)28/h3,6-12H,2,4-5H2,1H3.
What are the key properties of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-ethyl-9,10-dihydrophenanthrene?
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-ethyl-9,10-dihydrophenanthrene has a molecular weight of 388.38 g/mol, XLogP of 6.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-ethyl-9,10-dihydrophenanthrene is sourced from PubChem (CID 139883642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).