1-(trifluoromethyl)-4-(4-undecylphenyl)benzene

C24H31F3 — CID 19095048

IUPAC1-(trifluoromethyl)-4-(4-undecylphenyl)benzene
SMILESCCCCCCCCCCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H31F3/c1-2-3-4-5-6-7-8-9-10-11-20-12-14-21(15-13-20)22-16-18-23(19-17-22)24(25,26)27/h12-19H,2-11H2,1H3
InChIKeyXKOXUZGKUFWAGA-UHFFFAOYSA-N
MW376.51 g/mol
LogP8.45
Rot. Bonds11

About 1-(trifluoromethyl)-4-(4-undecylphenyl)benzene

1-(trifluoromethyl)-4-(4-undecylphenyl)benzene (PubChem CID 19095048) has the molecular formula C24H31F3 and a molecular weight of 376.51 g/mol. Its IUPAC name is 1-(trifluoromethyl)-4-(4-undecylphenyl)benzene.

Molecular Properties

Compound Name1-(trifluoromethyl)-4-(4-undecylphenyl)benzene
PubChem CID19095048
Molecular FormulaC24H31F3
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name1-(trifluoromethyl)-4-(4-undecylphenyl)benzene
SMILESCCCCCCCCCCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H31F3/c1-2-3-4-5-6-7-8-9-10-11-20-12-14-21(15-13-20)22-16-18-23(19-17-22)24(25,26)27/h12-19H,2-11H2,1H3
InChIKeyXKOXUZGKUFWAGA-UHFFFAOYSA-N
XLogP8.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.51
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
1-(1,1-difluoroethyl)-4-(4-octylphenyl)benzene
CID 23188558
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-hexyl-3-[4-(trifluoromethyl)phenyl]benzene
CID 91286869
1-(3-pentoxypropyl)-4-(trifluoromethyl)benzene
CID 91401204
1-tert-butyl-4-undecylbenzene
CID 162402478
1-ethyl-4-(trifluoromethyl)benzene;hexane
CID 143348513
1-chloro-2-(4-pentylphenyl)-4-(trifluoromethyl)benzene
CID 146987914
1-[difluoro-(4-pentylphenyl)methyl]-4-propylbenzene
CID 20705616
2-methyl-3-propan-2-yl-4-[6-[4-(trifluoromethyl)phenyl]hexyl]dodecan-3-ol
CID 151150657
1-[4-(1,1-dimethoxypropyl)dodecyl]-4-(trifluoromethyl)benzene
CID 152548606
1-pentadecyl-4-phenylbenzene
CID 57166115

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-4-(4-undecylphenyl)benzene?
The IUPAC name of 1-(trifluoromethyl)-4-(4-undecylphenyl)benzene (CID 19095048) is 1-(trifluoromethyl)-4-(4-undecylphenyl)benzene.
What is the SMILES notation for 1-(trifluoromethyl)-4-(4-undecylphenyl)benzene?
The canonical SMILES for 1-(trifluoromethyl)-4-(4-undecylphenyl)benzene is CCCCCCCCCCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-(trifluoromethyl)-4-(4-undecylphenyl)benzene?
The InChIKey is XKOXUZGKUFWAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3/c1-2-3-4-5-6-7-8-9-10-11-20-12-14-21(15-13-20)22-16-18-23(19-17-22)24(25,26)27/h12-19H,2-11H2,1H3.
What are the key properties of 1-(trifluoromethyl)-4-(4-undecylphenyl)benzene?
1-(trifluoromethyl)-4-(4-undecylphenyl)benzene has a molecular weight of 376.51 g/mol, XLogP of 8.45, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-4-(4-undecylphenyl)benzene is sourced from PubChem (CID 19095048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).