1-ethyl-4-(trifluoromethyl)benzene;hexane

C15H23F3 — CID 143348513

IUPAC1-ethyl-4-(trifluoromethyl)benzene;hexane
SMILESCCCCCC.CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H9F3.C6H14/c1-2-7-3-5-8(6-4-7)9(10,11)12;1-3-5-6-4-2/h3-6H,2H2,1H3;3-6H2,1-2H3
InChIKeyWNQFGIJGXJQWAH-UHFFFAOYSA-N
MW260.34 g/mol
LogP5.85
Rot. Bonds4

About 1-ethyl-4-(trifluoromethyl)benzene;hexane

1-ethyl-4-(trifluoromethyl)benzene;hexane (PubChem CID 143348513) has the molecular formula C15H23F3 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-ethyl-4-(trifluoromethyl)benzene;hexane.

Molecular Properties

Compound Name1-ethyl-4-(trifluoromethyl)benzene;hexane
PubChem CID143348513
Molecular FormulaC15H23F3
Molecular Weight260.34 g/mol
Exact Mass260.18
IUPAC Name1-ethyl-4-(trifluoromethyl)benzene;hexane
SMILESCCCCCC.CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H9F3.C6H14/c1-2-7-3-5-8(6-4-7)9(10,11)12;1-3-5-6-4-2/h3-6H,2H2,1H3;3-6H2,1-2H3
InChIKeyWNQFGIJGXJQWAH-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.34
LogP ≤ 55.85
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-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 76576198
1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 142535811
1-(trifluoromethyl)-4-(4-undecylphenyl)benzene
CID 19095048
1,4-diethylbenzene;heptane
CID 175370860
2,4-dimethyl-1-pentylbenzene;1-ethyl-4-pentylbenzene;1-pentyl-4-(trifluoromethyl)benzene
CID 143010329
N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine
CID 60669224
1-(3-pentoxypropyl)-4-(trifluoromethyl)benzene
CID 91401204
1-ethyl-4-(2-methylheptan-2-yl)benzene
CID 54310984
1-[4-(trifluoromethyl)phenyl]decan-2-amine
CID 65426535
1-(2,2-dimethylhexyl)-4-(trifluoromethyl)benzene
CID 146324258

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(trifluoromethyl)benzene;hexane?
The IUPAC name of 1-ethyl-4-(trifluoromethyl)benzene;hexane (CID 143348513) is 1-ethyl-4-(trifluoromethyl)benzene;hexane.
What is the SMILES notation for 1-ethyl-4-(trifluoromethyl)benzene;hexane?
The canonical SMILES for 1-ethyl-4-(trifluoromethyl)benzene;hexane is CCCCCC.CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-ethyl-4-(trifluoromethyl)benzene;hexane?
The InChIKey is WNQFGIJGXJQWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3.C6H14/c1-2-7-3-5-8(6-4-7)9(10,11)12;1-3-5-6-4-2/h3-6H,2H2,1H3;3-6H2,1-2H3.
What are the key properties of 1-ethyl-4-(trifluoromethyl)benzene;hexane?
1-ethyl-4-(trifluoromethyl)benzene;hexane has a molecular weight of 260.34 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(trifluoromethyl)benzene;hexane is sourced from PubChem (CID 143348513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).