1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzene

C31H37F3 — CID 101460916

IUPAC1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzene
SMILESCC(C)c1cccc(C(C)C)c1-c1cc(-c2c(C(C)C)cccc2C(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C31H37F3/c1-18(2)25-11-9-12-26(19(3)4)29(25)22-15-23(17-24(16-22)31(32,33)34)30-27(20(5)6)13-10-14-28(30)21(7)8/h9-21H,1-8H3
InChIKeyKVHQFQZUOKOOEJ-UHFFFAOYSA-N
MW466.63 g/mol
LogP10.53
Rot. Bonds6

About 1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzene

1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzene (PubChem CID 101460916) has the molecular formula C31H37F3 and a molecular weight of 466.63 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzene
PubChem CID101460916
Molecular FormulaC31H37F3
Molecular Weight466.63 g/mol
Exact Mass466.28
IUPAC Name1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzene
SMILESCC(C)c1cccc(C(C)C)c1-c1cc(-c2c(C(C)C)cccc2C(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C31H37F3/c1-18(2)25-11-9-12-26(19(3)4)29(25)22-15-23(17-24(16-22)31(32,33)34)30-27(20(5)6)13-10-14-28(30)21(7)8/h9-21H,1-8H3
InChIKeyKVHQFQZUOKOOEJ-UHFFFAOYSA-N
XLogP10.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(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

1-fluoro-3-propan-2-yl-2-[4-(trifluoromethyl)phenyl]benzene
CID 54565762
1,3-dibromo-5-[2,6-di(propan-2-yl)phenyl]benzene
CID 126608080
7-propan-2-yl-3-(trifluoromethyl)cyclopenta[b]thiopyran
CID 174867682
1,3-bis(4-tert-butylphenyl)-5-(trifluoromethyl)benzene
CID 91806032
1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 167251693
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
4-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methylpropyl)-5-propan-2-yl-1H-indene
CID 87703074
1,3-bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]-1,3,2λ2-benzodiazastannole
CID 177499080
3,5-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-propan-2-yl-6-(trifluoromethyl)phenyl]benzonitrile
CID 146520138
1,3-bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]-2-nitrososulfanylbenzene
CID 15530059
5-(2,6-dimethylphenyl)-2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene
CID 177292062
1-(5-fluoro-2-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)benzene
CID 170246253

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzene?
The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzene (CID 101460916) is 1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzene?
The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzene is CC(C)c1cccc(C(C)C)c1-c1cc(-c2c(C(C)C)cccc2C(C)C)cc(C(F)(F)F)c1.
What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzene?
The InChIKey is KVHQFQZUOKOOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37F3/c1-18(2)25-11-9-12-26(19(3)4)29(25)22-15-23(17-24(16-22)31(32,33)34)30-27(20(5)6)13-10-14-28(30)21(7)8/h9-21H,1-8H3.
What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzene?
1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzene has a molecular weight of 466.63 g/mol, XLogP of 10.53, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2,6-di(propan-2-yl)phenyl]-5-(trifluoromethyl)benzene is sourced from PubChem (CID 101460916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).