ethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene

C14H21F3 — CID 155737797

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

About ethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene

ethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene (PubChem CID 155737797) has the molecular formula C14H21F3 and a molecular weight of 246.32 g/mol. Its IUPAC name is ethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Nameethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene
PubChem CID155737797
Molecular FormulaC14H21F3
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Nameethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene
SMILESCC.CCc1cc(C(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3.C2H6/c1-4-9-5-10(8(2)3)7-11(6-9)12(13,14)15;1-2/h5-8H,4H2,1-3H3;1-2H3
InChIKeyTZRNDCHEEZBYCE-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

Analyze ethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600
1-propan-2-yl-3-(trifluoromethyl)-5-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 130220413
1-ethyl-3-propyl-5-(trifluoromethyl)benzene
CID 134502293
1-ethyl-3-iodo-5-(trifluoromethyl)benzene
CID 154475261
1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene
CID 91876365
1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine
CID 142869598
1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 167251693
1-[3-ethyl-5-(trifluoromethyl)phenyl]ethanone
CID 146358849
1-[1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]ethoxy]butan-2-amine
CID 146212757
1-(3-ethyl-3-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 145045291
1-[3,5-bis(trifluoromethyl)phenyl]ethanol;pentane
CID 143627234
4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene
CID 137409492

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene?
The IUPAC name of ethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene (CID 155737797) is ethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene.
What is the SMILES notation for ethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene?
The canonical SMILES for ethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene is CC.CCc1cc(C(C)C)cc(C(F)(F)F)c1.
What is the InChIKey of ethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene?
The InChIKey is TZRNDCHEEZBYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3.C2H6/c1-4-9-5-10(8(2)3)7-11(6-9)12(13,14)15;1-2/h5-8H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene?
ethane;1-ethyl-3-propan-2-yl-5-(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;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 155737797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).