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

C12H15F3 — CID 156849362

IUPAC2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
SMILESCCc1cc(C(C)C)ccc1C(F)(F)F
InChIInChI=1S/C12H15F3/c1-4-9-7-10(8(2)3)5-6-11(9)12(13,14)15/h5-8H,4H2,1-3H3
InChIKeyOBRVNMDVUBJLOV-UHFFFAOYSA-N
MW216.25 g/mol
LogP4.39
Rot. Bonds2

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

2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene (PubChem CID 156849362) has the molecular formula C12H15F3 and a molecular weight of 216.25 g/mol. Its IUPAC name is 2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
PubChem CID156849362
Molecular FormulaC12H15F3
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
SMILESCCc1cc(C(C)C)ccc1C(F)(F)F
InChIInChI=1S/C12H15F3/c1-4-9-7-10(8(2)3)5-6-11(9)12(13,14)15/h5-8H,4H2,1-3H3
InChIKeyOBRVNMDVUBJLOV-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

ethane;2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 177155724
2-ethyl-4-methyl-1-(trifluoromethyl)benzene
CID 89088576
4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane
CID 144850606
4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene
CID 137409492
2-ethyl-5-propan-2-ylphenol
CID 45096246
1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870
N-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
CID 53403796
1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 164997099
4-butan-2-yl-2-fluoro-1-(trifluoromethyl)benzene
CID 90930797
1-ethyl-2-ethylsulfanyl-4-propan-2-ylbenzene
CID 166781432
1-[3,5-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 173247455
(E)-3-[4-propan-2-yl-2-(trifluoromethyl)phenyl]prop-2-enal
CID 162555284

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene?
The IUPAC name of 2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene (CID 156849362) is 2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene is CCc1cc(C(C)C)ccc1C(F)(F)F.
What is the InChIKey of 2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene?
The InChIKey is OBRVNMDVUBJLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3/c1-4-9-7-10(8(2)3)5-6-11(9)12(13,14)15/h5-8H,4H2,1-3H3.
What are the key properties of 2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene?
2-ethyl-4-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 2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene is sourced from PubChem (CID 156849362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).