1-ethyl-3-propyl-5-(trifluoromethyl)benzene

C12H15F3 — CID 134502293

IUPAC1-ethyl-3-propyl-5-(trifluoromethyl)benzene
SMILESCCCc1cc(CC)cc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3/c1-3-5-10-6-9(4-2)7-11(8-10)12(13,14)15/h6-8H,3-5H2,1-2H3
InChIKeyJGGDDAAUWBVKRM-UHFFFAOYSA-N
MW216.25 g/mol
LogP4.22
Rot. Bonds3

About 1-ethyl-3-propyl-5-(trifluoromethyl)benzene

1-ethyl-3-propyl-5-(trifluoromethyl)benzene (PubChem CID 134502293) has the molecular formula C12H15F3 and a molecular weight of 216.25 g/mol. Its IUPAC name is 1-ethyl-3-propyl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-ethyl-3-propyl-5-(trifluoromethyl)benzene
PubChem CID134502293
Molecular FormulaC12H15F3
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name1-ethyl-3-propyl-5-(trifluoromethyl)benzene
SMILESCCCc1cc(CC)cc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3/c1-3-5-10-6-9(4-2)7-11(8-10)12(13,14)15/h6-8H,3-5H2,1-2H3
InChIKeyJGGDDAAUWBVKRM-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dipropyl-5-(trifluoromethyl)benzene
CID 58332275
1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600
2-[3-propyl-5-(trifluoromethyl)phenyl]propan-2-ol
CID 162614763
1-ethyl-3-iodo-5-(trifluoromethyl)benzene
CID 154475261
[3-butyl-5-(trifluoromethyl)phenyl]methanol
CID 118268639
N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 79021470
1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene
CID 91876365
ethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 155737797
1-ethyl-3-heptyl-5-propylbenzene
CID 141210303
1-[3-ethyl-5-(trifluoromethyl)phenyl]ethanone
CID 146358849
2-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 170293712
2-methyl-1,3-dipropyl-5-(trifluoromethyl)benzene
CID 142967725

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propyl-5-(trifluoromethyl)benzene?
The IUPAC name of 1-ethyl-3-propyl-5-(trifluoromethyl)benzene (CID 134502293) is 1-ethyl-3-propyl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-ethyl-3-propyl-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-ethyl-3-propyl-5-(trifluoromethyl)benzene is CCCc1cc(CC)cc(C(F)(F)F)c1.
What is the InChIKey of 1-ethyl-3-propyl-5-(trifluoromethyl)benzene?
The InChIKey is JGGDDAAUWBVKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3/c1-3-5-10-6-9(4-2)7-11(8-10)12(13,14)15/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-3-propyl-5-(trifluoromethyl)benzene?
1-ethyl-3-propyl-5-(trifluoromethyl)benzene has a molecular weight of 216.25 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propyl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 134502293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).