1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene

C20H23Cl2F3 — CID 164997099

IUPAC1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene
SMILESCC(C)c1ccc(C(F)(F)F)c(Cl)c1.Cc1cc(C(C)C)ccc1Cl
InChIInChI=1S/C10H10ClF3.C10H13Cl/c1-6(2)7-3-4-8(9(11)5-7)10(12,13)14;1-7(2)9-4-5-10(11)8(3)6-9/h3-6H,1-2H3;4-7H,1-3H3
InChIKeyHRYBBIMWLBLFFR-UHFFFAOYSA-N
MW391.30 g/mol
LogP8.25
Rot. Bonds2

About 1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene

1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene (PubChem CID 164997099) has the molecular formula C20H23Cl2F3 and a molecular weight of 391.30 g/mol. Its IUPAC name is 1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene
PubChem CID164997099
Molecular FormulaC20H23Cl2F3
Molecular Weight391.30 g/mol
Exact Mass390.11
IUPAC Name1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene
SMILESCC(C)c1ccc(C(F)(F)F)c(Cl)c1.Cc1cc(C(C)C)ccc1Cl
InChIInChI=1S/C10H10ClF3.C10H13Cl/c1-6(2)7-3-4-8(9(11)5-7)10(12,13)14;1-7(2)9-4-5-10(11)8(3)6-9/h3-6H,1-2H3;4-7H,1-3H3
InChIKeyHRYBBIMWLBLFFR-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.30
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(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

2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene
CID 167218956
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
CID 131415614
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512002
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171251448
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171265717
1-chloro-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene
CID 154959566
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
CID 171234863
2-tert-butyl-1-chloro-4-propan-2-ylbenzene
CID 59135167
2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 156849362
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethyl)phenyl]-3,3-dimethylbutan-2-ol;hydrochloride
CID 171265714
(1S,2R)-1-amino-1-[3-chloro-4-(trifluoromethyl)phenyl]butan-2-ol
CID 171271375
[(4-chloro-3-methylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105302305

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene (CID 164997099) is 1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene is CC(C)c1ccc(C(F)(F)F)c(Cl)c1.Cc1cc(C(C)C)ccc1Cl.
What is the InChIKey of 1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene?
The InChIKey is HRYBBIMWLBLFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3.C10H13Cl/c1-6(2)7-3-4-8(9(11)5-7)10(12,13)14;1-7(2)9-4-5-10(11)8(3)6-9/h3-6H,1-2H3;4-7H,1-3H3.
What are the key properties of 1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene?
1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene has a molecular weight of 391.30 g/mol, XLogP of 8.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene is sourced from PubChem (CID 164997099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).