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

C12H15F3 — CID 137409492

IUPAC4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene
SMILESCCc1ccc(C(F)(F)F)c(C(C)C)c1
InChIInChI=1S/C12H15F3/c1-4-9-5-6-11(12(13,14)15)10(7-9)8(2)3/h5-8H,4H2,1-3H3
InChIKeyAVVTXHOVFGSADV-UHFFFAOYSA-N
MW216.25 g/mol
LogP4.39
Rot. Bonds2

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

4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene (PubChem CID 137409492) has the molecular formula C12H15F3 and a molecular weight of 216.25 g/mol. Its IUPAC name is 4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene
PubChem CID137409492
Molecular FormulaC12H15F3
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene
SMILESCCc1ccc(C(F)(F)F)c(C(C)C)c1
InChIInChI=1S/C12H15F3/c1-4-9-5-6-11(12(13,14)15)10(7-9)8(2)3/h5-8H,4H2,1-3H3
InChIKeyAVVTXHOVFGSADV-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[[3-propan-2-yl-4-(trifluoromethyl)phenyl]methyl]piperidine
CID 170587450
1-ethoxy-4-ethyl-2-(trifluoromethyl)benzene
CID 118314791
2-ethyl-3-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene
CID 155183412
4-ethyl-2-ethynyl-1-(trifluoromethyl)benzene
CID 135303161
3-propan-2-yl-4-(trifluoromethyl)benzaldehyde
CID 131513542
ethane;4-ethyl-2-(trifluoromethyl)phenol
CID 143680036
2-butan-2-yl-4-ethyl-1-propan-2-ylbenzene
CID 123761837
2-bromo-4-ethyl-1-propan-2-ylbenzene
CID 71164366
4-ethyl-2-nitro-1-(trifluoromethyl)benzene
CID 70585415
2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 156849362
1-bromo-1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-2-one
CID 134615984
2-propan-2-yl-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene
CID 155328294

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene?
The IUPAC name of 4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene (CID 137409492) is 4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene.
What is the SMILES notation for 4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene?
The canonical SMILES for 4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene is CCc1ccc(C(F)(F)F)c(C(C)C)c1.
What is the InChIKey of 4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene?
The InChIKey is AVVTXHOVFGSADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3/c1-4-9-5-6-11(12(13,14)15)10(7-9)8(2)3/h5-8H,4H2,1-3H3.
What are the key properties of 4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene?
4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene has a molecular weight of 216.25 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene is sourced from PubChem (CID 137409492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).