ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene

C18H20F4 — CID 169205433

IUPACethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene
SMILESCC.CC(C)c1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H14F4.C2H6/c1-10(2)11-3-5-12(6-4-11)13-7-8-15(17)14(9-13)16(18,19)20;1-2/h3-10H,1-2H3;1-2H3
InChIKeyQDIZVVJZTXNSQW-UHFFFAOYSA-N
MW312.35 g/mol
LogP6.66
Rot. Bonds2

About ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene

ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene (PubChem CID 169205433) has the molecular formula C18H20F4 and a molecular weight of 312.35 g/mol. Its IUPAC name is ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Nameethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene
PubChem CID169205433
Molecular FormulaC18H20F4
Molecular Weight312.35 g/mol
Exact Mass312.15
IUPAC Nameethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene
SMILESCC.CC(C)c1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H14F4.C2H6/c1-10(2)11-3-5-12(6-4-11)13-7-8-15(17)14(9-13)16(18,19)20;1-2/h3-10H,1-2H3;1-2H3
InChIKeyQDIZVVJZTXNSQW-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.35
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene 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

4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 125457222
1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene
CID 71056767
4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 45156540
2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]phenol
CID 53221517
(1S)-1-(4-bromophenyl)ethanamine;[4-fluoro-3-(trifluoromethyl)phenyl]boronic acid;(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 161247838
2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
CID 107289637
[2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine
CID 61033431
2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene
CID 167218956
2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde
CID 107289689
1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 107289774
1-[4-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 168665303
6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrimidin-4-amine
CID 107290566

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene?
The IUPAC name of ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene (CID 169205433) is ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene is CC.CC(C)c1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1.
What is the InChIKey of ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene?
The InChIKey is QDIZVVJZTXNSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4.C2H6/c1-10(2)11-3-5-12(6-4-11)13-7-8-15(17)14(9-13)16(18,19)20;1-2/h3-10H,1-2H3;1-2H3.
What are the key properties of ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene?
ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene has a molecular weight of 312.35 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 169205433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).