4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene

C18H20F2 — CID 145153744

IUPAC4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene
SMILESCc1cc(F)ccc1C(c1ccc(F)cc1C)C(C)C
InChIInChI=1S/C18H20F2/c1-11(2)18(16-7-5-14(19)9-12(16)3)17-8-6-15(20)10-13(17)4/h5-11,18H,1-4H3
InChIKeyYBWKDLOVYSBCOJ-UHFFFAOYSA-N
MW274.35 g/mol
LogP5.37
Rot. Bonds3

About 4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene

4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene (PubChem CID 145153744) has the molecular formula C18H20F2 and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene.

Molecular Properties

Compound Name4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene
PubChem CID145153744
Molecular FormulaC18H20F2
Molecular Weight274.35 g/mol
Exact Mass274.15
IUPAC Name4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene
SMILESCc1cc(F)ccc1C(c1ccc(F)cc1C)C(C)C
InChIInChI=1S/C18H20F2/c1-11(2)18(16-7-5-14(19)9-12(16)3)17-8-6-15(20)10-13(17)4/h5-11,18H,1-4H3
InChIKeyYBWKDLOVYSBCOJ-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.35
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene 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-fluoro-2-methylphenyl)ethanamine
CID 62791014
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
2-(4-fluoro-2-methylphenyl)propanenitrile
CID 130135001
1-(dimethoxymethyl)-4-fluoro-2-methylbenzene
CID 135381934
1-(4-fluoro-2-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 62789845
ethane;1-(4-fluoro-2-methylphenyl)prop-2-en-1-ol
CID 176716116
1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 62791857
1-(4-fluoro-2-methylphenyl)-3,3-dimethylbutane-1,2-diol
CID 103457195
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine
CID 56971906

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene?
The IUPAC name of 4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene (CID 145153744) is 4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene.
What is the SMILES notation for 4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene?
The canonical SMILES for 4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene is Cc1cc(F)ccc1C(c1ccc(F)cc1C)C(C)C.
What is the InChIKey of 4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene?
The InChIKey is YBWKDLOVYSBCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2/c1-11(2)18(16-7-5-14(19)9-12(16)3)17-8-6-15(20)10-13(17)4/h5-11,18H,1-4H3.
What are the key properties of 4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene?
4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene has a molecular weight of 274.35 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[1-(4-fluoro-2-methylphenyl)-2-methylpropyl]-2-methylbenzene is sourced from PubChem (CID 145153744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).