3,3-difluoro-4-propyloxane

C8H14F2O — CID 168887146

IUPAC3,3-difluoro-4-propyloxane
SMILESCCCC1CCOCC1(F)F
InChIInChI=1S/C8H14F2O/c1-2-3-7-4-5-11-6-8(7,9)10/h7H,2-6H2,1H3
InChIKeyJYCVRHLTZCOQEL-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.46
Rot. Bonds2

About 3,3-difluoro-4-propyloxane

3,3-difluoro-4-propyloxane (PubChem CID 168887146) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is 3,3-difluoro-4-propyloxane.

Molecular Properties

Compound Name3,3-difluoro-4-propyloxane
PubChem CID168887146
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name3,3-difluoro-4-propyloxane
SMILESCCCC1CCOCC1(F)F
InChIInChI=1S/C8H14F2O/c1-2-3-7-4-5-11-6-8(7,9)10/h7H,2-6H2,1H3
InChIKeyJYCVRHLTZCOQEL-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-propyloxane?
The IUPAC name of 3,3-difluoro-4-propyloxane (CID 168887146) is 3,3-difluoro-4-propyloxane.
What is the SMILES notation for 3,3-difluoro-4-propyloxane?
The canonical SMILES for 3,3-difluoro-4-propyloxane is CCCC1CCOCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-propyloxane?
The InChIKey is JYCVRHLTZCOQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-2-3-7-4-5-11-6-8(7,9)10/h7H,2-6H2,1H3.
What are the key properties of 3,3-difluoro-4-propyloxane?
3,3-difluoro-4-propyloxane has a molecular weight of 164.19 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-propyloxane is sourced from PubChem (CID 168887146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).