2-ethyl-3-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene

C13H17F3 — CID 155183412

IUPAC2-ethyl-3-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCCc1c(C(C)C)ccc(C(F)(F)F)c1C
InChIInChI=1S/C13H17F3/c1-5-10-9(4)12(13(14,15)16)7-6-11(10)8(2)3/h6-8H,5H2,1-4H3
InChIKeyZLSZYNRMFYLFRA-UHFFFAOYSA-N
MW230.27 g/mol
LogP4.70
Rot. Bonds2

About 2-ethyl-3-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene

2-ethyl-3-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 155183412) has the molecular formula C13H17F3 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-ethyl-3-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-ethyl-3-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID155183412
Molecular FormulaC13H17F3
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name2-ethyl-3-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCCc1c(C(C)C)ccc(C(F)(F)F)c1C
InChIInChI=1S/C13H17F3/c1-5-10-9(4)12(13(14,15)16)7-6-11(10)8(2)3/h6-8H,5H2,1-4H3
InChIKeyZLSZYNRMFYLFRA-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of 2-ethyl-3-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene (CID 155183412) is 2-ethyl-3-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-ethyl-3-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-ethyl-3-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene is CCc1c(C(C)C)ccc(C(F)(F)F)c1C.
What is the InChIKey of 2-ethyl-3-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is ZLSZYNRMFYLFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3/c1-5-10-9(4)12(13(14,15)16)7-6-11(10)8(2)3/h6-8H,5H2,1-4H3.
What are the key properties of 2-ethyl-3-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene?
2-ethyl-3-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 230.27 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 155183412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).