1,3-diethyl-2-(trifluoromethyl)benzene

C11H13F3 — CID 91552460

IUPAC1,3-diethyl-2-(trifluoromethyl)benzene
SMILESCCc1cccc(CC)c1C(F)(F)F
InChIInChI=1S/C11H13F3/c1-3-8-6-5-7-9(4-2)10(8)11(12,13)14/h5-7H,3-4H2,1-2H3
InChIKeyLUWPPKQGPSEFJA-UHFFFAOYSA-N
MW202.22 g/mol
LogP3.83
Rot. Bonds2

About 1,3-diethyl-2-(trifluoromethyl)benzene

1,3-diethyl-2-(trifluoromethyl)benzene (PubChem CID 91552460) has the molecular formula C11H13F3 and a molecular weight of 202.22 g/mol. Its IUPAC name is 1,3-diethyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3-diethyl-2-(trifluoromethyl)benzene
PubChem CID91552460
Molecular FormulaC11H13F3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name1,3-diethyl-2-(trifluoromethyl)benzene
SMILESCCc1cccc(CC)c1C(F)(F)F
InChIInChI=1S/C11H13F3/c1-3-8-6-5-7-9(4-2)10(8)11(12,13)14/h5-7H,3-4H2,1-2H3
InChIKeyLUWPPKQGPSEFJA-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-3-ethyl-2-(trifluoromethyl)benzene
CID 71072896
1-[3-ethyl-2-(trifluoromethyl)phenyl]propan-2-one
CID 118835917
3-ethyl-2-(trifluoromethyl)benzoate
CID 53405985
1-(chloromethyl)-4-ethyl-2,3-bis(trifluoromethyl)benzene
CID 135742827
[4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol
CID 134638791
2-(2,6-diethylphenyl)propan-2-ol
CID 117283274
4-ethyl-2,3-bis(trifluoromethyl)pyridine
CID 133094685
4-ethyl-2-fluoro-3-(trifluoromethyl)aniline;hydrochloride
CID 68821424
1-ethyl-2,3-bis(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene
CID 135743105
4-ethyl-2,3-bis(trifluoromethyl)benzoic acid
CID 119023089
1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene
CID 19702594
2-tert-butyl-1-ethyl-3-iodobenzene
CID 146636701

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1,3-diethyl-2-(trifluoromethyl)benzene (CID 91552460) is 1,3-diethyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3-diethyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1,3-diethyl-2-(trifluoromethyl)benzene is CCc1cccc(CC)c1C(F)(F)F.
What is the InChIKey of 1,3-diethyl-2-(trifluoromethyl)benzene?
The InChIKey is LUWPPKQGPSEFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3/c1-3-8-6-5-7-9(4-2)10(8)11(12,13)14/h5-7H,3-4H2,1-2H3.
What are the key properties of 1,3-diethyl-2-(trifluoromethyl)benzene?
1,3-diethyl-2-(trifluoromethyl)benzene has a molecular weight of 202.22 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 91552460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).