(12E)-2-fluoro-1-oxacyclotridec-12-ene

C12H21FO — CID 11159969

IUPAC(12E)-2-fluoro-1-oxacyclotridec-12-ene
SMILESFC1CCCCCCCCC/C=C/O1
InChIInChI=1S/C12H21FO/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h9,11-12H,1-8,10H2/b11-9+
InChIKeyVESIXTYDAGDTDP-PKNBQFBNSA-N
MW200.30 g/mol
LogP4.34
Rot. Bonds

About (12E)-2-fluoro-1-oxacyclotridec-12-ene

(12E)-2-fluoro-1-oxacyclotridec-12-ene (PubChem CID 11159969) has the molecular formula C12H21FO and a molecular weight of 200.30 g/mol. Its IUPAC name is (12E)-2-fluoro-1-oxacyclotridec-12-ene.

Molecular Properties

Compound Name(12E)-2-fluoro-1-oxacyclotridec-12-ene
PubChem CID11159969
Molecular FormulaC12H21FO
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Name(12E)-2-fluoro-1-oxacyclotridec-12-ene
SMILESFC1CCCCCCCCC/C=C/O1
InChIInChI=1S/C12H21FO/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h9,11-12H,1-8,10H2/b11-9+
InChIKeyVESIXTYDAGDTDP-PKNBQFBNSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (12E)-2-fluoro-1-oxacyclotridec-12-ene?
The IUPAC name of (12E)-2-fluoro-1-oxacyclotridec-12-ene (CID 11159969) is (12E)-2-fluoro-1-oxacyclotridec-12-ene.
What is the SMILES notation for (12E)-2-fluoro-1-oxacyclotridec-12-ene?
The canonical SMILES for (12E)-2-fluoro-1-oxacyclotridec-12-ene is FC1CCCCCCCCC/C=C/O1.
What is the InChIKey of (12E)-2-fluoro-1-oxacyclotridec-12-ene?
The InChIKey is VESIXTYDAGDTDP-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H21FO/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h9,11-12H,1-8,10H2/b11-9+.
What are the key properties of (12E)-2-fluoro-1-oxacyclotridec-12-ene?
(12E)-2-fluoro-1-oxacyclotridec-12-ene has a molecular weight of 200.30 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (12E)-2-fluoro-1-oxacyclotridec-12-ene is sourced from PubChem (CID 11159969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).