(E)-3-ethyl-4-fluoro-2,5-dimethylhept-3-ene

C11H21F — CID 167011204

IUPAC(E)-3-ethyl-4-fluoro-2,5-dimethylhept-3-ene
SMILESCC/C(=C(\F)C(C)CC)C(C)C
InChIInChI=1S/C11H21F/c1-6-9(5)11(12)10(7-2)8(3)4/h8-9H,6-7H2,1-5H3/b11-10+
InChIKeyZZPGTWNLKUMBQD-ZHACJKMWSA-N
MW172.29 g/mol
LogP4.32
Rot. Bonds4

About (E)-3-ethyl-4-fluoro-2,5-dimethylhept-3-ene

(E)-3-ethyl-4-fluoro-2,5-dimethylhept-3-ene (PubChem CID 167011204) has the molecular formula C11H21F and a molecular weight of 172.29 g/mol. Its IUPAC name is (E)-3-ethyl-4-fluoro-2,5-dimethylhept-3-ene.

Molecular Properties

Compound Name(E)-3-ethyl-4-fluoro-2,5-dimethylhept-3-ene
PubChem CID167011204
Molecular FormulaC11H21F
Molecular Weight172.29 g/mol
Exact Mass172.16
IUPAC Name(E)-3-ethyl-4-fluoro-2,5-dimethylhept-3-ene
SMILESCC/C(=C(\F)C(C)CC)C(C)C
InChIInChI=1S/C11H21F/c1-6-9(5)11(12)10(7-2)8(3)4/h8-9H,6-7H2,1-5H3/b11-10+
InChIKeyZZPGTWNLKUMBQD-ZHACJKMWSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-4-fluoro-2,5-dimethylhept-3-ene?
The IUPAC name of (E)-3-ethyl-4-fluoro-2,5-dimethylhept-3-ene (CID 167011204) is (E)-3-ethyl-4-fluoro-2,5-dimethylhept-3-ene.
What is the SMILES notation for (E)-3-ethyl-4-fluoro-2,5-dimethylhept-3-ene?
The canonical SMILES for (E)-3-ethyl-4-fluoro-2,5-dimethylhept-3-ene is CC/C(=C(\F)C(C)CC)C(C)C.
What is the InChIKey of (E)-3-ethyl-4-fluoro-2,5-dimethylhept-3-ene?
The InChIKey is ZZPGTWNLKUMBQD-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H21F/c1-6-9(5)11(12)10(7-2)8(3)4/h8-9H,6-7H2,1-5H3/b11-10+.
What are the key properties of (E)-3-ethyl-4-fluoro-2,5-dimethylhept-3-ene?
(E)-3-ethyl-4-fluoro-2,5-dimethylhept-3-ene has a molecular weight of 172.29 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-4-fluoro-2,5-dimethylhept-3-ene is sourced from PubChem (CID 167011204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).