2-ethyl-1,3-difluoro-5-prop-1-en-2-ylbenzene

C11H12F2 — CID 170266078

IUPAC2-ethyl-1,3-difluoro-5-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(F)c(CC)c(F)c1
InChIInChI=1S/C11H12F2/c1-4-9-10(12)5-8(7(2)3)6-11(9)13/h5-6H,2,4H2,1,3H3
InChIKeyWVTIZCAVICCIPQ-UHFFFAOYSA-N
MW182.21 g/mol
LogP3.56
Rot. Bonds2

About 2-ethyl-1,3-difluoro-5-prop-1-en-2-ylbenzene

2-ethyl-1,3-difluoro-5-prop-1-en-2-ylbenzene (PubChem CID 170266078) has the molecular formula C11H12F2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 2-ethyl-1,3-difluoro-5-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name2-ethyl-1,3-difluoro-5-prop-1-en-2-ylbenzene
PubChem CID170266078
Molecular FormulaC11H12F2
Molecular Weight182.21 g/mol
Exact Mass182.09
IUPAC Name2-ethyl-1,3-difluoro-5-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(F)c(CC)c(F)c1
InChIInChI=1S/C11H12F2/c1-4-9-10(12)5-8(7(2)3)6-11(9)13/h5-6H,2,4H2,1,3H3
InChIKeyWVTIZCAVICCIPQ-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-difluoro-5-prop-1-en-2-ylbenzene?
The IUPAC name of 2-ethyl-1,3-difluoro-5-prop-1-en-2-ylbenzene (CID 170266078) is 2-ethyl-1,3-difluoro-5-prop-1-en-2-ylbenzene.
What is the SMILES notation for 2-ethyl-1,3-difluoro-5-prop-1-en-2-ylbenzene?
The canonical SMILES for 2-ethyl-1,3-difluoro-5-prop-1-en-2-ylbenzene is C=C(C)c1cc(F)c(CC)c(F)c1.
What is the InChIKey of 2-ethyl-1,3-difluoro-5-prop-1-en-2-ylbenzene?
The InChIKey is WVTIZCAVICCIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2/c1-4-9-10(12)5-8(7(2)3)6-11(9)13/h5-6H,2,4H2,1,3H3.
What are the key properties of 2-ethyl-1,3-difluoro-5-prop-1-en-2-ylbenzene?
2-ethyl-1,3-difluoro-5-prop-1-en-2-ylbenzene has a molecular weight of 182.21 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-difluoro-5-prop-1-en-2-ylbenzene is sourced from PubChem (CID 170266078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).