1-butan-2-yl-4-(4-ethylphenyl)-2,3-difluorobenzene

C18H20F2 — CID 123653432

IUPAC1-butan-2-yl-4-(4-ethylphenyl)-2,3-difluorobenzene
SMILESCCc1ccc(-c2ccc(C(C)CC)c(F)c2F)cc1
InChIInChI=1S/C18H20F2/c1-4-12(3)15-10-11-16(18(20)17(15)19)14-8-6-13(5-2)7-9-14/h6-12H,4-5H2,1-3H3
InChIKeyIGGGFAMFGSEIEK-UHFFFAOYSA-N
MW274.35 g/mol
LogP5.71
Rot. Bonds4

About 1-butan-2-yl-4-(4-ethylphenyl)-2,3-difluorobenzene

1-butan-2-yl-4-(4-ethylphenyl)-2,3-difluorobenzene (PubChem CID 123653432) has the molecular formula C18H20F2 and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-butan-2-yl-4-(4-ethylphenyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-butan-2-yl-4-(4-ethylphenyl)-2,3-difluorobenzene
PubChem CID123653432
Molecular FormulaC18H20F2
Molecular Weight274.35 g/mol
Exact Mass274.15
IUPAC Name1-butan-2-yl-4-(4-ethylphenyl)-2,3-difluorobenzene
SMILESCCc1ccc(-c2ccc(C(C)CC)c(F)c2F)cc1
InChIInChI=1S/C18H20F2/c1-4-12(3)15-10-11-16(18(20)17(15)19)14-8-6-13(5-2)7-9-14/h6-12H,4-5H2,1-3H3
InChIKeyIGGGFAMFGSEIEK-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.35
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-butan-2-yl-4-(4-ethylphenyl)-2,3-difluorobenzene 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

1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 147217763
4-(4-ethylphenyl)-2,3-difluorophenol
CID 19911018
1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388417
1-(4-ethylphenyl)-2,3-difluoro-4-[1-(4-octylcyclohexyl)ethyl]benzene
CID 67895843
1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene
CID 67865174
2-butan-2-yl-4-ethyl-1-propan-2-ylbenzene
CID 123761837
1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene
CID 162480776
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
2,3-difluoro-1-[4-[(1S)-1-iodoethyl]phenyl]-4-propan-2-ylbenzene
CID 149496310
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 129065279
1-(4-ethylphenyl)-4-[4-(4-ethylphenyl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorobenzene
CID 21134485
1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
CID 77470948

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(4-ethylphenyl)-2,3-difluorobenzene?
The IUPAC name of 1-butan-2-yl-4-(4-ethylphenyl)-2,3-difluorobenzene (CID 123653432) is 1-butan-2-yl-4-(4-ethylphenyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-butan-2-yl-4-(4-ethylphenyl)-2,3-difluorobenzene?
The canonical SMILES for 1-butan-2-yl-4-(4-ethylphenyl)-2,3-difluorobenzene is CCc1ccc(-c2ccc(C(C)CC)c(F)c2F)cc1.
What is the InChIKey of 1-butan-2-yl-4-(4-ethylphenyl)-2,3-difluorobenzene?
The InChIKey is IGGGFAMFGSEIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2/c1-4-12(3)15-10-11-16(18(20)17(15)19)14-8-6-13(5-2)7-9-14/h6-12H,4-5H2,1-3H3.
What are the key properties of 1-butan-2-yl-4-(4-ethylphenyl)-2,3-difluorobenzene?
1-butan-2-yl-4-(4-ethylphenyl)-2,3-difluorobenzene has a molecular weight of 274.35 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(4-ethylphenyl)-2,3-difluorobenzene is sourced from PubChem (CID 123653432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).