1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,2,2,2-tetrafluoroethoxy)butane

C6HF13O — CID 15789091

IUPAC1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,2,2,2-tetrafluoroethoxy)butane
SMILESFC(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF13O/c7-1(2(8,9)10)20-6(18,19)4(13,14)3(11,12)5(15,16)17/h1H
InChIKeyQZZKDVQAEJXSJY-UHFFFAOYSA-N
MW336.05 g/mol
LogP4.29
Rot. Bonds4

About 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,2,2,2-tetrafluoroethoxy)butane

1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,2,2,2-tetrafluoroethoxy)butane (PubChem CID 15789091) has the molecular formula C6HF13O and a molecular weight of 336.05 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,2,2,2-tetrafluoroethoxy)butane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,2,2,2-tetrafluoroethoxy)butane
PubChem CID15789091
Molecular FormulaC6HF13O
Molecular Weight336.05 g/mol
Exact Mass335.98
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,2,2,2-tetrafluoroethoxy)butane
SMILESFC(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF13O/c7-1(2(8,9)10)20-6(18,19)4(13,14)3(11,12)5(15,16)17/h1H
InChIKeyQZZKDVQAEJXSJY-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.05
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,2,2,2-tetrafluoroethoxy)butane 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

Flurothyl
CID 9528
Heptafluoropropyl 1,2,2,2-tetrafluoroethyl ether
CID 94258
1,1,2,2-Tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane
CID 164596
3-(Difluoromethoxy)-1,1,2,2-tetrafluoropropane
CID 2737027
1,1,2,2-Tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane
CID 2776662
Ethoxynonafluorobutane
CID 206000
1,1,2,2,3,3,4,4-Octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
CID 2782579
n-Butyl 1,1,2,2-tetrafluoroethyl ether
CID 9659
Methyl 2H,2H-perfluorobutyl ether
CID 17914188
4-(Difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane
CID 19063484
5-(Difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane
CID 22436579
1,1,1,2,2,3,3-Heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane
CID 22646028

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,2,2,2-tetrafluoroethoxy)butane?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,2,2,2-tetrafluoroethoxy)butane (CID 15789091) is 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,2,2,2-tetrafluoroethoxy)butane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,2,2,2-tetrafluoroethoxy)butane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,2,2,2-tetrafluoroethoxy)butane is FC(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,2,2,2-tetrafluoroethoxy)butane?
The InChIKey is QZZKDVQAEJXSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF13O/c7-1(2(8,9)10)20-6(18,19)4(13,14)3(11,12)5(15,16)17/h1H.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,2,2,2-tetrafluoroethoxy)butane?
1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,2,2,2-tetrafluoroethoxy)butane has a molecular weight of 336.05 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,2,2,2-tetrafluoroethoxy)butane is sourced from PubChem (CID 15789091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).