1,3,5-tripropyl-2-[4-(trifluoromethyl)phenyl]benzene

C22H27F3 — CID 123667290

IUPAC1,3,5-tripropyl-2-[4-(trifluoromethyl)phenyl]benzene
SMILESCCCc1cc(CCC)c(-c2ccc(C(F)(F)F)cc2)c(CCC)c1
InChIInChI=1S/C22H27F3/c1-4-7-16-14-18(8-5-2)21(19(15-16)9-6-3)17-10-12-20(13-11-17)22(23,24)25/h10-15H,4-9H2,1-3H3
InChIKeyDUTAOEXJTBAKBK-UHFFFAOYSA-N
MW348.45 g/mol
LogP7.23
Rot. Bonds7

About 1,3,5-tripropyl-2-[4-(trifluoromethyl)phenyl]benzene

1,3,5-tripropyl-2-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 123667290) has the molecular formula C22H27F3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1,3,5-tripropyl-2-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,3,5-tripropyl-2-[4-(trifluoromethyl)phenyl]benzene
PubChem CID123667290
Molecular FormulaC22H27F3
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name1,3,5-tripropyl-2-[4-(trifluoromethyl)phenyl]benzene
SMILESCCCc1cc(CCC)c(-c2ccc(C(F)(F)F)cc2)c(CCC)c1
InChIInChI=1S/C22H27F3/c1-4-7-16-14-18(8-5-2)21(19(15-16)9-6-3)17-10-12-20(13-11-17)22(23,24)25/h10-15H,4-9H2,1-3H3
InChIKeyDUTAOEXJTBAKBK-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-phenyl-1,3,5-tripropylbenzene
CID 91174687
1,3-dipropyl-5-(trifluoromethyl)benzene
CID 58332275
2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene
CID 142940681
2-[2-[3,5-difluoro-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene
CID 139758592
1-ethyl-3-propyl-5-(trifluoromethyl)benzene
CID 134502293
2-propyl-5-(trifluoromethyl)aniline
CID 105455059
3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 22045482
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
1-(trifluoromethyl)-4-(4-undecylphenyl)benzene
CID 19095048
1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene
CID 71656112
2-methyl-1,3-dipropyl-5-(trifluoromethyl)benzene
CID 142967725
2-propyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
CID 134955904

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tripropyl-2-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,3,5-tripropyl-2-[4-(trifluoromethyl)phenyl]benzene (CID 123667290) is 1,3,5-tripropyl-2-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,3,5-tripropyl-2-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,3,5-tripropyl-2-[4-(trifluoromethyl)phenyl]benzene is CCCc1cc(CCC)c(-c2ccc(C(F)(F)F)cc2)c(CCC)c1.
What is the InChIKey of 1,3,5-tripropyl-2-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is DUTAOEXJTBAKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3/c1-4-7-16-14-18(8-5-2)21(19(15-16)9-6-3)17-10-12-20(13-11-17)22(23,24)25/h10-15H,4-9H2,1-3H3.
What are the key properties of 1,3,5-tripropyl-2-[4-(trifluoromethyl)phenyl]benzene?
1,3,5-tripropyl-2-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 348.45 g/mol, XLogP of 7.23, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tripropyl-2-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 123667290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).