2-fluoro-5-pent-2-en-2-yloxyhept-2-ene

C12H21FO — CID 123472262

IUPAC2-fluoro-5-pent-2-en-2-yloxyhept-2-ene
SMILESCCC=C(C)OC(CC)CC=C(C)F
InChIInChI=1S/C12H21FO/c1-5-7-11(4)14-12(6-2)9-8-10(3)13/h7-8,12H,5-6,9H2,1-4H3
InChIKeyBINXGNBESCVILT-UHFFFAOYSA-N
MW200.30 g/mol
LogP4.36
Rot. Bonds6

About 2-fluoro-5-pent-2-en-2-yloxyhept-2-ene

2-fluoro-5-pent-2-en-2-yloxyhept-2-ene (PubChem CID 123472262) has the molecular formula C12H21FO and a molecular weight of 200.30 g/mol. Its IUPAC name is 2-fluoro-5-pent-2-en-2-yloxyhept-2-ene.

Molecular Properties

Compound Name2-fluoro-5-pent-2-en-2-yloxyhept-2-ene
PubChem CID123472262
Molecular FormulaC12H21FO
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Name2-fluoro-5-pent-2-en-2-yloxyhept-2-ene
SMILESCCC=C(C)OC(CC)CC=C(C)F
InChIInChI=1S/C12H21FO/c1-5-7-11(4)14-12(6-2)9-8-10(3)13/h7-8,12H,5-6,9H2,1-4H3
InChIKeyBINXGNBESCVILT-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-pent-2-en-2-yloxyhept-2-ene?
The IUPAC name of 2-fluoro-5-pent-2-en-2-yloxyhept-2-ene (CID 123472262) is 2-fluoro-5-pent-2-en-2-yloxyhept-2-ene.
What is the SMILES notation for 2-fluoro-5-pent-2-en-2-yloxyhept-2-ene?
The canonical SMILES for 2-fluoro-5-pent-2-en-2-yloxyhept-2-ene is CCC=C(C)OC(CC)CC=C(C)F.
What is the InChIKey of 2-fluoro-5-pent-2-en-2-yloxyhept-2-ene?
The InChIKey is BINXGNBESCVILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FO/c1-5-7-11(4)14-12(6-2)9-8-10(3)13/h7-8,12H,5-6,9H2,1-4H3.
What are the key properties of 2-fluoro-5-pent-2-en-2-yloxyhept-2-ene?
2-fluoro-5-pent-2-en-2-yloxyhept-2-ene has a molecular weight of 200.30 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-pent-2-en-2-yloxyhept-2-ene is sourced from PubChem (CID 123472262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).