1,2-diethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]benzene

C18H19F3 — CID 130243350

IUPAC1,2-diethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]benzene
SMILESCCc1cccc(-c2cc(C(F)(F)F)ccc2C)c1CC
InChIInChI=1S/C18H19F3/c1-4-13-7-6-8-16(15(13)5-2)17-11-14(18(19,20)21)10-9-12(17)3/h6-11H,4-5H2,1-3H3
InChIKeyMFTXXXZIOVQPAY-UHFFFAOYSA-N
MW292.34 g/mol
LogP5.81
Rot. Bonds3

About 1,2-diethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]benzene

1,2-diethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]benzene (PubChem CID 130243350) has the molecular formula C18H19F3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1,2-diethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-diethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]benzene
PubChem CID130243350
Molecular FormulaC18H19F3
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1,2-diethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]benzene
SMILESCCc1cccc(-c2cc(C(F)(F)F)ccc2C)c1CC
InChIInChI=1S/C18H19F3/c1-4-13-7-6-8-16(15(13)5-2)17-11-14(18(19,20)21)10-9-12(17)3/h6-11H,4-5H2,1-3H3
InChIKeyMFTXXXZIOVQPAY-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.34
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 140533162
1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 91161720
2-fluoro-3-[2-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 154468811
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
2-ethyl-1-phenyl-4-(trifluoromethyl)benzene
CID 19702469
[2-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methanol
CID 172649051
(2,3-diethylphenyl)azanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 87384959
1-ethyl-7-(trifluoromethyl)anthracene
CID 151657359
1,2,3-trichloro-4-[2-methyl-5-(trifluoromethyl)phenyl]benzene
CID 134620909
2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole
CID 163645607
ethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene
CID 144910624
4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 157068956

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2-diethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]benzene (CID 130243350) is 1,2-diethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2-diethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2-diethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]benzene is CCc1cccc(-c2cc(C(F)(F)F)ccc2C)c1CC.
What is the InChIKey of 1,2-diethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]benzene?
The InChIKey is MFTXXXZIOVQPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3/c1-4-13-7-6-8-16(15(13)5-2)17-11-14(18(19,20)21)10-9-12(17)3/h6-11H,4-5H2,1-3H3.
What are the key properties of 1,2-diethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]benzene?
1,2-diethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]benzene has a molecular weight of 292.34 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-3-[2-methyl-5-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 130243350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).