2-(12-fluorododecoxy)acetic acid

C14H27FO3 — CID 21195352

IUPAC2-(12-fluorododecoxy)acetic acid
SMILESO=C(O)COCCCCCCCCCCCCF
InChIInChI=1S/C14H27FO3/c15-11-9-7-5-3-1-2-4-6-8-10-12-18-13-14(16)17/h1-13H2,(H,16,17)
InChIKeyHJNJHTUIRCBQCW-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.96
Rot. Bonds14

About 2-(12-fluorododecoxy)acetic acid

2-(12-fluorododecoxy)acetic acid (PubChem CID 21195352) has the molecular formula C14H27FO3 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(12-fluorododecoxy)acetic acid.

Molecular Properties

Compound Name2-(12-fluorododecoxy)acetic acid
PubChem CID21195352
Molecular FormulaC14H27FO3
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name2-(12-fluorododecoxy)acetic acid
SMILESO=C(O)COCCCCCCCCCCCCF
InChIInChI=1S/C14H27FO3/c15-11-9-7-5-3-1-2-4-6-8-10-12-18-13-14(16)17/h1-13H2,(H,16,17)
InChIKeyHJNJHTUIRCBQCW-UHFFFAOYSA-N
XLogP3.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(8-ethoxyoctoxy)acetic acid
CID 141124770
2-pentadecoxyacetic acid
CID 19866534
2-nonadecoxyacetic acid
CID 91373626
2-octadecoxyacetic acid
CID 4147678
2-[5-[5-(carboxymethoxy)pentylselanyl]pentoxy]acetic acid
CID 155770977
2-[2-[2-[2-[2-[2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 154729983
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101104501
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101236867
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 58975663
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716129
2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 134694956
sodium;2-dodecoxyacetic acid;hydride
CID 173155180

Frequently Asked Questions

What is the IUPAC name of 2-(12-fluorododecoxy)acetic acid?
The IUPAC name of 2-(12-fluorododecoxy)acetic acid (CID 21195352) is 2-(12-fluorododecoxy)acetic acid.
What is the SMILES notation for 2-(12-fluorododecoxy)acetic acid?
The canonical SMILES for 2-(12-fluorododecoxy)acetic acid is O=C(O)COCCCCCCCCCCCCF.
What is the InChIKey of 2-(12-fluorododecoxy)acetic acid?
The InChIKey is HJNJHTUIRCBQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FO3/c15-11-9-7-5-3-1-2-4-6-8-10-12-18-13-14(16)17/h1-13H2,(H,16,17).
What are the key properties of 2-(12-fluorododecoxy)acetic acid?
2-(12-fluorododecoxy)acetic acid has a molecular weight of 262.36 g/mol, XLogP of 3.96, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12-fluorododecoxy)acetic acid is sourced from PubChem (CID 21195352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).