(8-acetyloxy-4,4,6,6-tetrafluorooctyl) acetate

C12H18F4O4 — CID 118257803

IUPAC(8-acetyloxy-4,4,6,6-tetrafluorooctyl) acetate
SMILESCC(=O)OCCCC(F)(F)CC(F)(F)CCOC(C)=O
InChIInChI=1S/C12H18F4O4/c1-9(17)19-6-3-4-11(13,14)8-12(15,16)5-7-20-10(2)18/h3-8H2,1-2H3
InChIKeyHODRDHZSCJCDCS-UHFFFAOYSA-N
MW302.26 g/mol
LogP2.94
Rot. Bonds9

About (8-acetyloxy-4,4,6,6-tetrafluorooctyl) acetate

(8-acetyloxy-4,4,6,6-tetrafluorooctyl) acetate (PubChem CID 118257803) has the molecular formula C12H18F4O4 and a molecular weight of 302.26 g/mol. Its IUPAC name is (8-acetyloxy-4,4,6,6-tetrafluorooctyl) acetate.

Molecular Properties

Compound Name(8-acetyloxy-4,4,6,6-tetrafluorooctyl) acetate
PubChem CID118257803
Molecular FormulaC12H18F4O4
Molecular Weight302.26 g/mol
Exact Mass302.11
IUPAC Name(8-acetyloxy-4,4,6,6-tetrafluorooctyl) acetate
SMILESCC(=O)OCCCC(F)(F)CC(F)(F)CCOC(C)=O
InChIInChI=1S/C12H18F4O4/c1-9(17)19-6-3-4-11(13,14)8-12(15,16)5-7-20-10(2)18/h3-8H2,1-2H3
InChIKeyHODRDHZSCJCDCS-UHFFFAOYSA-N
XLogP2.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (8-acetyloxy-4,4,6,6-tetrafluorooctyl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-4,4-difluorobutyl) acetate
CID 19915379
4,4-diethylhexyl acetate
CID 150852527
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl acetate
CID 121274321
11-acetyloxyundecyl acetate
CID 87784419
4,4-dimethylhexyl acetate
CID 90020632
(4,4-dichloro-4-silylbutyl) acetate
CID 173246962
3-(3,3,3-trifluoropropylsulfonyl)propyl acetate
CID 174660202
3,3,3-trichloropropyl acetate
CID 14970937
(4,4-dimethyl-7-oxooctyl) acetate
CID 11127631
(3-fluoro-3-iodo-4-methylpent-4-enyl) acetate
CID 148964412
(3-acetyloxy-2,2-difluoropropyl) acetate
CID 59792531
(3,7-dibromo-3,7-dimethyloctyl) acetate
CID 121010948

Frequently Asked Questions

What is the IUPAC name of (8-acetyloxy-4,4,6,6-tetrafluorooctyl) acetate?
The IUPAC name of (8-acetyloxy-4,4,6,6-tetrafluorooctyl) acetate (CID 118257803) is (8-acetyloxy-4,4,6,6-tetrafluorooctyl) acetate.
What is the SMILES notation for (8-acetyloxy-4,4,6,6-tetrafluorooctyl) acetate?
The canonical SMILES for (8-acetyloxy-4,4,6,6-tetrafluorooctyl) acetate is CC(=O)OCCCC(F)(F)CC(F)(F)CCOC(C)=O.
What is the InChIKey of (8-acetyloxy-4,4,6,6-tetrafluorooctyl) acetate?
The InChIKey is HODRDHZSCJCDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F4O4/c1-9(17)19-6-3-4-11(13,14)8-12(15,16)5-7-20-10(2)18/h3-8H2,1-2H3.
What are the key properties of (8-acetyloxy-4,4,6,6-tetrafluorooctyl) acetate?
(8-acetyloxy-4,4,6,6-tetrafluorooctyl) acetate has a molecular weight of 302.26 g/mol, XLogP of 2.94, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-acetyloxy-4,4,6,6-tetrafluorooctyl) acetate is sourced from PubChem (CID 118257803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).