2-ethyl-1-fluoro-5-(2-methylpropyl)-3-(trifluoromethyl)benzene

C13H16F4 — CID 166923791

IUPAC2-ethyl-1-fluoro-5-(2-methylpropyl)-3-(trifluoromethyl)benzene
SMILESCCc1c(F)cc(CC(C)C)cc1C(F)(F)F
InChIInChI=1S/C13H16F4/c1-4-10-11(13(15,16)17)6-9(5-8(2)3)7-12(10)14/h6-8H,4-5H2,1-3H3
InChIKeyZARZVWVLOKXTNC-UHFFFAOYSA-N
MW248.26 g/mol
LogP4.61
Rot. Bonds3

About 2-ethyl-1-fluoro-5-(2-methylpropyl)-3-(trifluoromethyl)benzene

2-ethyl-1-fluoro-5-(2-methylpropyl)-3-(trifluoromethyl)benzene (PubChem CID 166923791) has the molecular formula C13H16F4 and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-ethyl-1-fluoro-5-(2-methylpropyl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-ethyl-1-fluoro-5-(2-methylpropyl)-3-(trifluoromethyl)benzene
PubChem CID166923791
Molecular FormulaC13H16F4
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Name2-ethyl-1-fluoro-5-(2-methylpropyl)-3-(trifluoromethyl)benzene
SMILESCCc1c(F)cc(CC(C)C)cc1C(F)(F)F
InChIInChI=1S/C13H16F4/c1-4-10-11(13(15,16)17)6-9(5-8(2)3)7-12(10)14/h6-8H,4-5H2,1-3H3
InChIKeyZARZVWVLOKXTNC-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-fluoro-5-(2-methylpropyl)-3-(trifluoromethyl)benzene?
The IUPAC name of 2-ethyl-1-fluoro-5-(2-methylpropyl)-3-(trifluoromethyl)benzene (CID 166923791) is 2-ethyl-1-fluoro-5-(2-methylpropyl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 2-ethyl-1-fluoro-5-(2-methylpropyl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 2-ethyl-1-fluoro-5-(2-methylpropyl)-3-(trifluoromethyl)benzene is CCc1c(F)cc(CC(C)C)cc1C(F)(F)F.
What is the InChIKey of 2-ethyl-1-fluoro-5-(2-methylpropyl)-3-(trifluoromethyl)benzene?
The InChIKey is ZARZVWVLOKXTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4/c1-4-10-11(13(15,16)17)6-9(5-8(2)3)7-12(10)14/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-1-fluoro-5-(2-methylpropyl)-3-(trifluoromethyl)benzene?
2-ethyl-1-fluoro-5-(2-methylpropyl)-3-(trifluoromethyl)benzene has a molecular weight of 248.26 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-fluoro-5-(2-methylpropyl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 166923791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).