ethane;1-ethyl-4-phenyl-2-(trifluoromethyl)benzene

C17H19F3 — CID 177219455

IUPACethane;1-ethyl-4-phenyl-2-(trifluoromethyl)benzene
SMILESCC.CCc1ccc(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C15H13F3.C2H6/c1-2-11-8-9-13(10-14(11)15(16,17)18)12-6-4-3-5-7-12;1-2/h3-10H,2H2,1H3;1-2H3
InChIKeyBSIVZKZHTFXQHN-UHFFFAOYSA-N
MW280.33 g/mol
LogP5.96
Rot. Bonds2

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

ethane;1-ethyl-4-phenyl-2-(trifluoromethyl)benzene (PubChem CID 177219455) has the molecular formula C17H19F3 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethane;1-ethyl-4-phenyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Nameethane;1-ethyl-4-phenyl-2-(trifluoromethyl)benzene
PubChem CID177219455
Molecular FormulaC17H19F3
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Nameethane;1-ethyl-4-phenyl-2-(trifluoromethyl)benzene
SMILESCC.CCc1ccc(-c2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C15H13F3.C2H6/c1-2-11-8-9-13(10-14(11)15(16,17)18)12-6-4-3-5-7-12;1-2/h3-10H,2H2,1H3;1-2H3
InChIKeyBSIVZKZHTFXQHN-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.33
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[4-ethyl-3-(trifluoromethyl)phenyl]quinoline
CID 70792067
1-ethyl-2,4-diphenylbenzene
CID 59359551
1-iodo-4-phenyl-2-(trifluoromethyl)benzene
CID 46315008
1-(chloromethyl)-4-(3-fluorophenyl)-2-(trifluoromethyl)benzene
CID 46313337
2-bromo-1-[4-ethyl-3-(trifluoromethyl)phenyl]ethanone
CID 91882617
1-(chloromethyl)-4-(4-chlorophenyl)-2-(trifluoromethyl)benzene
CID 22326912
1-methyl-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 87917003
[4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 166611510
4-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxymethyl]piperidine
CID 54001513
2-ethyl-1-phenyl-4-(trifluoromethyl)benzene
CID 19702469
2-ethyl-4-phenylbenzaldehyde
CID 87968483
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-phenyl-2-(trifluoromethyl)benzene?
The IUPAC name of ethane;1-ethyl-4-phenyl-2-(trifluoromethyl)benzene (CID 177219455) is ethane;1-ethyl-4-phenyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for ethane;1-ethyl-4-phenyl-2-(trifluoromethyl)benzene?
The canonical SMILES for ethane;1-ethyl-4-phenyl-2-(trifluoromethyl)benzene is CC.CCc1ccc(-c2ccccc2)cc1C(F)(F)F.
What is the InChIKey of ethane;1-ethyl-4-phenyl-2-(trifluoromethyl)benzene?
The InChIKey is BSIVZKZHTFXQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3.C2H6/c1-2-11-8-9-13(10-14(11)15(16,17)18)12-6-4-3-5-7-12;1-2/h3-10H,2H2,1H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-phenyl-2-(trifluoromethyl)benzene?
ethane;1-ethyl-4-phenyl-2-(trifluoromethyl)benzene has a molecular weight of 280.33 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-phenyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 177219455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).