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

C14H21F3 — CID 177155724

IUPACethane;2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
SMILESCC.CCc1cc(C(C)C)ccc1C(F)(F)F
InChIInChI=1S/C12H15F3.C2H6/c1-4-9-7-10(8(2)3)5-6-11(9)12(13,14)15;1-2/h5-8H,4H2,1-3H3;1-2H3
InChIKeyMINFFWZFHAIFNI-UHFFFAOYSA-N
MW246.32 g/mol
LogP5.42
Rot. Bonds2

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

ethane;2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene (PubChem CID 177155724) has the molecular formula C14H21F3 and a molecular weight of 246.32 g/mol. Its IUPAC name is ethane;2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Nameethane;2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
PubChem CID177155724
Molecular FormulaC14H21F3
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Nameethane;2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
SMILESCC.CCc1cc(C(C)C)ccc1C(F)(F)F
InChIInChI=1S/C12H15F3.C2H6/c1-4-9-7-10(8(2)3)5-6-11(9)12(13,14)15;1-2/h5-8H,4H2,1-3H3;1-2H3
InChIKeyMINFFWZFHAIFNI-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.32
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene?
The IUPAC name of ethane;2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene (CID 177155724) is ethane;2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene.
What is the SMILES notation for ethane;2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene?
The canonical SMILES for ethane;2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene is CC.CCc1cc(C(C)C)ccc1C(F)(F)F.
What is the InChIKey of ethane;2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene?
The InChIKey is MINFFWZFHAIFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3.C2H6/c1-4-9-7-10(8(2)3)5-6-11(9)12(13,14)15;1-2/h5-8H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene?
ethane;2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene has a molecular weight of 246.32 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene is sourced from PubChem (CID 177155724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).