1-ethyl-2-fluoro-4-hept-3-en-4-ylbenzene

C15H21F — CID 123305593

IUPAC1-ethyl-2-fluoro-4-hept-3-en-4-ylbenzene
SMILESCCC=C(CCC)c1ccc(CC)c(F)c1
InChIInChI=1S/C15H21F/c1-4-7-13(8-5-2)14-10-9-12(6-3)15(16)11-14/h7,9-11H,4-6,8H2,1-3H3
InChIKeyCJYVCPJGWRBMSS-UHFFFAOYSA-N
MW220.33 g/mol
LogP4.98
Rot. Bonds5

About 1-ethyl-2-fluoro-4-hept-3-en-4-ylbenzene

1-ethyl-2-fluoro-4-hept-3-en-4-ylbenzene (PubChem CID 123305593) has the molecular formula C15H21F and a molecular weight of 220.33 g/mol. Its IUPAC name is 1-ethyl-2-fluoro-4-hept-3-en-4-ylbenzene.

Molecular Properties

Compound Name1-ethyl-2-fluoro-4-hept-3-en-4-ylbenzene
PubChem CID123305593
Molecular FormulaC15H21F
Molecular Weight220.33 g/mol
Exact Mass220.16
IUPAC Name1-ethyl-2-fluoro-4-hept-3-en-4-ylbenzene
SMILESCCC=C(CCC)c1ccc(CC)c(F)c1
InChIInChI=1S/C15H21F/c1-4-7-13(8-5-2)14-10-9-12(6-3)15(16)11-14/h7,9-11H,4-6,8H2,1-3H3
InChIKeyCJYVCPJGWRBMSS-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-fluoro-4-hept-3-en-4-ylbenzene?
The IUPAC name of 1-ethyl-2-fluoro-4-hept-3-en-4-ylbenzene (CID 123305593) is 1-ethyl-2-fluoro-4-hept-3-en-4-ylbenzene.
What is the SMILES notation for 1-ethyl-2-fluoro-4-hept-3-en-4-ylbenzene?
The canonical SMILES for 1-ethyl-2-fluoro-4-hept-3-en-4-ylbenzene is CCC=C(CCC)c1ccc(CC)c(F)c1.
What is the InChIKey of 1-ethyl-2-fluoro-4-hept-3-en-4-ylbenzene?
The InChIKey is CJYVCPJGWRBMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F/c1-4-7-13(8-5-2)14-10-9-12(6-3)15(16)11-14/h7,9-11H,4-6,8H2,1-3H3.
What are the key properties of 1-ethyl-2-fluoro-4-hept-3-en-4-ylbenzene?
1-ethyl-2-fluoro-4-hept-3-en-4-ylbenzene has a molecular weight of 220.33 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-fluoro-4-hept-3-en-4-ylbenzene is sourced from PubChem (CID 123305593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).