3-(1,1,2,2-tetrafluoroethoxymethyl)pentane

C8H14F4O — CID 139669688

IUPAC3-(1,1,2,2-tetrafluoroethoxymethyl)pentane
SMILESCCC(CC)COC(F)(F)C(F)F
InChIInChI=1S/C8H14F4O/c1-3-6(4-2)5-13-8(11,12)7(9)10/h6-7H,3-5H2,1-2H3
InChIKeyFPOGGQJHOGCLSL-UHFFFAOYSA-N
MW202.19 g/mol
LogP3.30
Rot. Bonds6

About 3-(1,1,2,2-tetrafluoroethoxymethyl)pentane

3-(1,1,2,2-tetrafluoroethoxymethyl)pentane (PubChem CID 139669688) has the molecular formula C8H14F4O and a molecular weight of 202.19 g/mol. Its IUPAC name is 3-(1,1,2,2-tetrafluoroethoxymethyl)pentane.

Molecular Properties

Compound Name3-(1,1,2,2-tetrafluoroethoxymethyl)pentane
PubChem CID139669688
Molecular FormulaC8H14F4O
Molecular Weight202.19 g/mol
Exact Mass202.10
IUPAC Name3-(1,1,2,2-tetrafluoroethoxymethyl)pentane
SMILESCCC(CC)COC(F)(F)C(F)F
InChIInChI=1S/C8H14F4O/c1-3-6(4-2)5-13-8(11,12)7(9)10/h6-7H,3-5H2,1-2H3
InChIKeyFPOGGQJHOGCLSL-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2-tetrafluoroethoxymethyl)pentane?
The IUPAC name of 3-(1,1,2,2-tetrafluoroethoxymethyl)pentane (CID 139669688) is 3-(1,1,2,2-tetrafluoroethoxymethyl)pentane.
What is the SMILES notation for 3-(1,1,2,2-tetrafluoroethoxymethyl)pentane?
The canonical SMILES for 3-(1,1,2,2-tetrafluoroethoxymethyl)pentane is CCC(CC)COC(F)(F)C(F)F.
What is the InChIKey of 3-(1,1,2,2-tetrafluoroethoxymethyl)pentane?
The InChIKey is FPOGGQJHOGCLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4O/c1-3-6(4-2)5-13-8(11,12)7(9)10/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-(1,1,2,2-tetrafluoroethoxymethyl)pentane?
3-(1,1,2,2-tetrafluoroethoxymethyl)pentane has a molecular weight of 202.19 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2-tetrafluoroethoxymethyl)pentane is sourced from PubChem (CID 139669688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).