2-[3-(1,1-difluoropropoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-3,3-difluoro-2-methylpentane

C14H22F8O2 — CID 129071012

IUPAC2-[3-(1,1-difluoropropoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-3,3-difluoro-2-methylpentane
SMILESCCC(F)(F)OC(C)(C)C(F)(F)C(F)(F)OC(C)(C)C(F)(F)CC
InChIInChI=1S/C14H22F8O2/c1-7-11(15,16)9(3,4)24-14(21,22)13(19,20)10(5,6)23-12(17,18)8-2/h7-8H2,1-6H3
InChIKeyZMVGHARJXCWXIQ-UHFFFAOYSA-N
MW374.31 g/mol
LogP5.85
Rot. Bonds9

About 2-[3-(1,1-difluoropropoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-3,3-difluoro-2-methylpentane

2-[3-(1,1-difluoropropoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-3,3-difluoro-2-methylpentane (PubChem CID 129071012) has the molecular formula C14H22F8O2 and a molecular weight of 374.31 g/mol. Its IUPAC name is 2-[3-(1,1-difluoropropoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-3,3-difluoro-2-methylpentane.

Molecular Properties

Compound Name2-[3-(1,1-difluoropropoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-3,3-difluoro-2-methylpentane
PubChem CID129071012
Molecular FormulaC14H22F8O2
Molecular Weight374.31 g/mol
Exact Mass374.15
IUPAC Name2-[3-(1,1-difluoropropoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-3,3-difluoro-2-methylpentane
SMILESCCC(F)(F)OC(C)(C)C(F)(F)C(F)(F)OC(C)(C)C(F)(F)CC
InChIInChI=1S/C14H22F8O2/c1-7-11(15,16)9(3,4)24-14(21,22)13(19,20)10(5,6)23-12(17,18)8-2/h7-8H2,1-6H3
InChIKeyZMVGHARJXCWXIQ-UHFFFAOYSA-N
XLogP5.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.31
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[3-(1,1-difluoropropoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-3,3-difluoro-2-methylpentane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1-difluoropropoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-3,3-difluoro-2-methylpentane?
The IUPAC name of 2-[3-(1,1-difluoropropoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-3,3-difluoro-2-methylpentane (CID 129071012) is 2-[3-(1,1-difluoropropoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-3,3-difluoro-2-methylpentane.
What is the SMILES notation for 2-[3-(1,1-difluoropropoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-3,3-difluoro-2-methylpentane?
The canonical SMILES for 2-[3-(1,1-difluoropropoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-3,3-difluoro-2-methylpentane is CCC(F)(F)OC(C)(C)C(F)(F)C(F)(F)OC(C)(C)C(F)(F)CC.
What is the InChIKey of 2-[3-(1,1-difluoropropoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-3,3-difluoro-2-methylpentane?
The InChIKey is ZMVGHARJXCWXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F8O2/c1-7-11(15,16)9(3,4)24-14(21,22)13(19,20)10(5,6)23-12(17,18)8-2/h7-8H2,1-6H3.
What are the key properties of 2-[3-(1,1-difluoropropoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-3,3-difluoro-2-methylpentane?
2-[3-(1,1-difluoropropoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-3,3-difluoro-2-methylpentane has a molecular weight of 374.31 g/mol, XLogP of 5.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1-difluoropropoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-3,3-difluoro-2-methylpentane is sourced from PubChem (CID 129071012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).