2,2-difluoro-3-(1-fluoroethenoxy)-3-methylpentane

C8H13F3O — CID 90779412

IUPAC2,2-difluoro-3-(1-fluoroethenoxy)-3-methylpentane
SMILESC=C(F)OC(C)(CC)C(C)(F)F
InChIInChI=1S/C8H13F3O/c1-5-7(3,8(4,10)11)12-6(2)9/h2,5H2,1,3-4H3
InChIKeyKFCVALUPCNVHPX-UHFFFAOYSA-N
MW182.18 g/mol
LogP3.27
Rot. Bonds4

About 2,2-difluoro-3-(1-fluoroethenoxy)-3-methylpentane

2,2-difluoro-3-(1-fluoroethenoxy)-3-methylpentane (PubChem CID 90779412) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 2,2-difluoro-3-(1-fluoroethenoxy)-3-methylpentane.

Molecular Properties

Compound Name2,2-difluoro-3-(1-fluoroethenoxy)-3-methylpentane
PubChem CID90779412
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name2,2-difluoro-3-(1-fluoroethenoxy)-3-methylpentane
SMILESC=C(F)OC(C)(CC)C(C)(F)F
InChIInChI=1S/C8H13F3O/c1-5-7(3,8(4,10)11)12-6(2)9/h2,5H2,1,3-4H3
InChIKeyKFCVALUPCNVHPX-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(1-fluoroethenoxy)-3-methylpentane?
The IUPAC name of 2,2-difluoro-3-(1-fluoroethenoxy)-3-methylpentane (CID 90779412) is 2,2-difluoro-3-(1-fluoroethenoxy)-3-methylpentane.
What is the SMILES notation for 2,2-difluoro-3-(1-fluoroethenoxy)-3-methylpentane?
The canonical SMILES for 2,2-difluoro-3-(1-fluoroethenoxy)-3-methylpentane is C=C(F)OC(C)(CC)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-3-(1-fluoroethenoxy)-3-methylpentane?
The InChIKey is KFCVALUPCNVHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-5-7(3,8(4,10)11)12-6(2)9/h2,5H2,1,3-4H3.
What are the key properties of 2,2-difluoro-3-(1-fluoroethenoxy)-3-methylpentane?
2,2-difluoro-3-(1-fluoroethenoxy)-3-methylpentane has a molecular weight of 182.18 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(1-fluoroethenoxy)-3-methylpentane is sourced from PubChem (CID 90779412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).