2,2-difluoro-2-octan-2-yloxyacetic acid

C10H18F2O3 — CID 43651907

IUPAC2,2-difluoro-2-octan-2-yloxyacetic acid
SMILESCCCCCCC(C)OC(F)(F)C(=O)O
InChIInChI=1S/C10H18F2O3/c1-3-4-5-6-7-8(2)15-10(11,12)9(13)14/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyBHZLRADMCMQLPN-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.04
Rot. Bonds8

About 2,2-difluoro-2-octan-2-yloxyacetic acid

2,2-difluoro-2-octan-2-yloxyacetic acid (PubChem CID 43651907) has the molecular formula C10H18F2O3 and a molecular weight of 224.25 g/mol. Its IUPAC name is 2,2-difluoro-2-octan-2-yloxyacetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-octan-2-yloxyacetic acid
PubChem CID43651907
Molecular FormulaC10H18F2O3
Molecular Weight224.25 g/mol
Exact Mass224.12
IUPAC Name2,2-difluoro-2-octan-2-yloxyacetic acid
SMILESCCCCCCC(C)OC(F)(F)C(=O)O
InChIInChI=1S/C10H18F2O3/c1-3-4-5-6-7-8(2)15-10(11,12)9(13)14/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyBHZLRADMCMQLPN-UHFFFAOYSA-N
XLogP3.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.04
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-(trifluoromethoxy)undecane
CID 150054524
[(2R)-octan-2-yl] carbonofluoridate
CID 135080787
tridecan-2-yl 2,2,2-trifluoroacetate
CID 536345
heptadecan-2-yl hydrogen carbonate
CID 87300493
nonan-2-amine;2,2,2-trifluoroacetic acid
CID 154996434
decan-2-yl 2,2,3,3,3-pentafluoropropanoate
CID 91691443
nonan-2-yl carbamate
CID 19093303
2-(1,1,2,2-tetrafluoroethoxy)heptane
CID 139669700
dodecan-2-yl carbamate
CID 87166225
2-fluoro-3-octyl-2-undecyltetradecanoic acid
CID 175533993
nonan-3-ol;2,2,2-trifluoroacetic acid
CID 175151448
2-dodecyl-3-(22-methyltricosyl)butanedioic acid
CID 139823859

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-octan-2-yloxyacetic acid?
The IUPAC name of 2,2-difluoro-2-octan-2-yloxyacetic acid (CID 43651907) is 2,2-difluoro-2-octan-2-yloxyacetic acid.
What is the SMILES notation for 2,2-difluoro-2-octan-2-yloxyacetic acid?
The canonical SMILES for 2,2-difluoro-2-octan-2-yloxyacetic acid is CCCCCCC(C)OC(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-2-octan-2-yloxyacetic acid?
The InChIKey is BHZLRADMCMQLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O3/c1-3-4-5-6-7-8(2)15-10(11,12)9(13)14/h8H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2,2-difluoro-2-octan-2-yloxyacetic acid?
2,2-difluoro-2-octan-2-yloxyacetic acid has a molecular weight of 224.25 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-octan-2-yloxyacetic acid is sourced from PubChem (CID 43651907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).