12,12-difluorododec-11-enoic acid

C12H20F2O2 — CID 11322259

IUPAC12,12-difluorododec-11-enoic acid
SMILESO=C(O)CCCCCCCCCC=C(F)F
InChIInChI=1S/C12H20F2O2/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h9H,1-8,10H2,(H,15,16)
InChIKeyYXJCUGWTUDZCCJ-UHFFFAOYSA-N
MW234.29 g/mol
LogP4.36
Rot. Bonds10

About 12,12-difluorododec-11-enoic acid

12,12-difluorododec-11-enoic acid (PubChem CID 11322259) has the molecular formula C12H20F2O2 and a molecular weight of 234.29 g/mol. Its IUPAC name is 12,12-difluorododec-11-enoic acid.

Molecular Properties

Compound Name12,12-difluorododec-11-enoic acid
PubChem CID11322259
Molecular FormulaC12H20F2O2
Molecular Weight234.29 g/mol
Exact Mass234.14
IUPAC Name12,12-difluorododec-11-enoic acid
SMILESO=C(O)CCCCCCCCCC=C(F)F
InChIInChI=1S/C12H20F2O2/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h9H,1-8,10H2,(H,15,16)
InChIKeyYXJCUGWTUDZCCJ-UHFFFAOYSA-N
XLogP4.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12,12-difluorododec-11-enoic acid?
The IUPAC name of 12,12-difluorododec-11-enoic acid (CID 11322259) is 12,12-difluorododec-11-enoic acid.
What is the SMILES notation for 12,12-difluorododec-11-enoic acid?
The canonical SMILES for 12,12-difluorododec-11-enoic acid is O=C(O)CCCCCCCCCC=C(F)F.
What is the InChIKey of 12,12-difluorododec-11-enoic acid?
The InChIKey is YXJCUGWTUDZCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2O2/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h9H,1-8,10H2,(H,15,16).
What are the key properties of 12,12-difluorododec-11-enoic acid?
12,12-difluorododec-11-enoic acid has a molecular weight of 234.29 g/mol, XLogP of 4.36, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-difluorododec-11-enoic acid is sourced from PubChem (CID 11322259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).