2-(8,8-difluorodec-1-en-5-yloxy)acetic acid

C12H20F2O3 — CID 146283341

IUPAC2-(8,8-difluorodec-1-en-5-yloxy)acetic acid
SMILESC=CCCC(CCC(F)(F)CC)OCC(=O)O
InChIInChI=1S/C12H20F2O3/c1-3-5-6-10(17-9-11(15)16)7-8-12(13,14)4-2/h3,10H,1,4-9H2,2H3,(H,15,16)
InChIKeyGWBCTIGXKRGLAB-UHFFFAOYSA-N
MW250.28 g/mol
LogP3.25
Rot. Bonds10

About 2-(8,8-difluorodec-1-en-5-yloxy)acetic acid

2-(8,8-difluorodec-1-en-5-yloxy)acetic acid (PubChem CID 146283341) has the molecular formula C12H20F2O3 and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(8,8-difluorodec-1-en-5-yloxy)acetic acid.

Molecular Properties

Compound Name2-(8,8-difluorodec-1-en-5-yloxy)acetic acid
PubChem CID146283341
Molecular FormulaC12H20F2O3
Molecular Weight250.28 g/mol
Exact Mass250.14
IUPAC Name2-(8,8-difluorodec-1-en-5-yloxy)acetic acid
SMILESC=CCCC(CCC(F)(F)CC)OCC(=O)O
InChIInChI=1S/C12H20F2O3/c1-3-5-6-10(17-9-11(15)16)7-8-12(13,14)4-2/h3,10H,1,4-9H2,2H3,(H,15,16)
InChIKeyGWBCTIGXKRGLAB-UHFFFAOYSA-N
XLogP3.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8,8-difluorodec-1-en-5-yloxy)acetic acid?
The IUPAC name of 2-(8,8-difluorodec-1-en-5-yloxy)acetic acid (CID 146283341) is 2-(8,8-difluorodec-1-en-5-yloxy)acetic acid.
What is the SMILES notation for 2-(8,8-difluorodec-1-en-5-yloxy)acetic acid?
The canonical SMILES for 2-(8,8-difluorodec-1-en-5-yloxy)acetic acid is C=CCCC(CCC(F)(F)CC)OCC(=O)O.
What is the InChIKey of 2-(8,8-difluorodec-1-en-5-yloxy)acetic acid?
The InChIKey is GWBCTIGXKRGLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2O3/c1-3-5-6-10(17-9-11(15)16)7-8-12(13,14)4-2/h3,10H,1,4-9H2,2H3,(H,15,16).
What are the key properties of 2-(8,8-difluorodec-1-en-5-yloxy)acetic acid?
2-(8,8-difluorodec-1-en-5-yloxy)acetic acid has a molecular weight of 250.28 g/mol, XLogP of 3.25, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,8-difluorodec-1-en-5-yloxy)acetic acid is sourced from PubChem (CID 146283341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).