1,1-difluoro-10-(trifluoromethoxymethoxy)decane

C12H21F5O2 — CID 150180569

IUPAC1,1-difluoro-10-(trifluoromethoxymethoxy)decane
SMILESFC(F)CCCCCCCCCOCOC(F)(F)F
InChIInChI=1S/C12H21F5O2/c13-11(14)8-6-4-2-1-3-5-7-9-18-10-19-12(15,16)17/h11H,1-10H2
InChIKeyWNAGEEJGIIFGRO-UHFFFAOYSA-N
MW292.29 g/mol
LogP4.88
Rot. Bonds12

About 1,1-difluoro-10-(trifluoromethoxymethoxy)decane

1,1-difluoro-10-(trifluoromethoxymethoxy)decane (PubChem CID 150180569) has the molecular formula C12H21F5O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1,1-difluoro-10-(trifluoromethoxymethoxy)decane.

Molecular Properties

Compound Name1,1-difluoro-10-(trifluoromethoxymethoxy)decane
PubChem CID150180569
Molecular FormulaC12H21F5O2
Molecular Weight292.29 g/mol
Exact Mass292.15
IUPAC Name1,1-difluoro-10-(trifluoromethoxymethoxy)decane
SMILESFC(F)CCCCCCCCCOCOC(F)(F)F
InChIInChI=1S/C12H21F5O2/c13-11(14)8-6-4-2-1-3-5-7-9-18-10-19-12(15,16)17/h11H,1-10H2
InChIKeyWNAGEEJGIIFGRO-UHFFFAOYSA-N
XLogP4.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-difluoro-10-(trifluoromethylperoxy)decane
CID 151870662
1,1,7,7-tetrafluoroheptane
CID 87478513
1-butoxy-4-(trifluoromethoxy)butane
CID 152923004
1-(methoxymethoxy)-6-methylheptane
CID 54450331
9-fluoro-1-(9-fluoropentacosoxy)pentacosane
CID 175553006
8-ethoxy-1,1,1-trifluorooctan-2-ol
CID 19365294
(2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol
CID 10198260
10-ethoxy-1,1,1-trifluorodecan-2-ol
CID 86189496
1,1,1-trifluoro-6-nonoxyhexan-2-ol
CID 139609821
1,1,1-trifluoro-8-pentoxyoctan-2-ol
CID 139609867
2-fluoro-12-(2,2,2-trifluoroethoxy)dodecan-1-ol
CID 139607930
1-butoxy-15-fluorohexadecane;ethane
CID 144858393

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-10-(trifluoromethoxymethoxy)decane?
The IUPAC name of 1,1-difluoro-10-(trifluoromethoxymethoxy)decane (CID 150180569) is 1,1-difluoro-10-(trifluoromethoxymethoxy)decane.
What is the SMILES notation for 1,1-difluoro-10-(trifluoromethoxymethoxy)decane?
The canonical SMILES for 1,1-difluoro-10-(trifluoromethoxymethoxy)decane is FC(F)CCCCCCCCCOCOC(F)(F)F.
What is the InChIKey of 1,1-difluoro-10-(trifluoromethoxymethoxy)decane?
The InChIKey is WNAGEEJGIIFGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F5O2/c13-11(14)8-6-4-2-1-3-5-7-9-18-10-19-12(15,16)17/h11H,1-10H2.
What are the key properties of 1,1-difluoro-10-(trifluoromethoxymethoxy)decane?
1,1-difluoro-10-(trifluoromethoxymethoxy)decane has a molecular weight of 292.29 g/mol, XLogP of 4.88, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-10-(trifluoromethoxymethoxy)decane is sourced from PubChem (CID 150180569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).