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

C15H13F3 — CID 19702469

IUPAC2-ethyl-1-phenyl-4-(trifluoromethyl)benzene
SMILESCCc1cc(C(F)(F)F)ccc1-c1ccccc1
InChIInChI=1S/C15H13F3/c1-2-11-10-13(15(16,17)18)8-9-14(11)12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChIKeyWYDWPWHNEVBDPK-UHFFFAOYSA-N
MW250.26 g/mol
LogP4.93
Rot. Bonds2

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

2-ethyl-1-phenyl-4-(trifluoromethyl)benzene (PubChem CID 19702469) has the molecular formula C15H13F3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-ethyl-1-phenyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-ethyl-1-phenyl-4-(trifluoromethyl)benzene
PubChem CID19702469
Molecular FormulaC15H13F3
Molecular Weight250.26 g/mol
Exact Mass250.10
IUPAC Name2-ethyl-1-phenyl-4-(trifluoromethyl)benzene
SMILESCCc1cc(C(F)(F)F)ccc1-c1ccccc1
InChIInChI=1S/C15H13F3/c1-2-11-10-13(15(16,17)18)8-9-14(11)12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChIKeyWYDWPWHNEVBDPK-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-1-phenyl-4-(trifluoromethyl)benzene;sulfanol
CID 174961722
2-(3-butyl-4-phenylphenyl)-6-(trifluoromethyl)naphthalene
CID 157489638
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
CID 46314964
[2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol
CID 66837706
[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanol
CID 172649070
[2-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methanol
CID 172649051
2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene
CID 46313326
3-ethyl-4-phenylbenzenesulfonyl chloride
CID 87181125
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
2-phenyl-4-(trifluoromethyl)benzenesulfinic acid
CID 174890866
3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 175410196
2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 11630778

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-phenyl-4-(trifluoromethyl)benzene?
The IUPAC name of 2-ethyl-1-phenyl-4-(trifluoromethyl)benzene (CID 19702469) is 2-ethyl-1-phenyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-ethyl-1-phenyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-ethyl-1-phenyl-4-(trifluoromethyl)benzene is CCc1cc(C(F)(F)F)ccc1-c1ccccc1.
What is the InChIKey of 2-ethyl-1-phenyl-4-(trifluoromethyl)benzene?
The InChIKey is WYDWPWHNEVBDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3/c1-2-11-10-13(15(16,17)18)8-9-14(11)12-6-4-3-5-7-12/h3-10H,2H2,1H3.
What are the key properties of 2-ethyl-1-phenyl-4-(trifluoromethyl)benzene?
2-ethyl-1-phenyl-4-(trifluoromethyl)benzene has a molecular weight of 250.26 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-phenyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 19702469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).