4-(2,2-difluoropropyl)-2-methylideneoxane

C9H14F2O — CID 167627399

IUPAC4-(2,2-difluoropropyl)-2-methylideneoxane
SMILESC=C1CC(CC(C)(F)F)CCO1
InChIInChI=1S/C9H14F2O/c1-7-5-8(3-4-12-7)6-9(2,10)11/h8H,1,3-6H2,2H3
InChIKeyWCCNTXLLOOIINJ-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.97
Rot. Bonds2

About 4-(2,2-difluoropropyl)-2-methylideneoxane

4-(2,2-difluoropropyl)-2-methylideneoxane (PubChem CID 167627399) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is 4-(2,2-difluoropropyl)-2-methylideneoxane.

Molecular Properties

Compound Name4-(2,2-difluoropropyl)-2-methylideneoxane
PubChem CID167627399
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name4-(2,2-difluoropropyl)-2-methylideneoxane
SMILESC=C1CC(CC(C)(F)F)CCO1
InChIInChI=1S/C9H14F2O/c1-7-5-8(3-4-12-7)6-9(2,10)11/h8H,1,3-6H2,2H3
InChIKeyWCCNTXLLOOIINJ-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropyl)-2-methylideneoxane?
The IUPAC name of 4-(2,2-difluoropropyl)-2-methylideneoxane (CID 167627399) is 4-(2,2-difluoropropyl)-2-methylideneoxane.
What is the SMILES notation for 4-(2,2-difluoropropyl)-2-methylideneoxane?
The canonical SMILES for 4-(2,2-difluoropropyl)-2-methylideneoxane is C=C1CC(CC(C)(F)F)CCO1.
What is the InChIKey of 4-(2,2-difluoropropyl)-2-methylideneoxane?
The InChIKey is WCCNTXLLOOIINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O/c1-7-5-8(3-4-12-7)6-9(2,10)11/h8H,1,3-6H2,2H3.
What are the key properties of 4-(2,2-difluoropropyl)-2-methylideneoxane?
4-(2,2-difluoropropyl)-2-methylideneoxane has a molecular weight of 176.21 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropyl)-2-methylideneoxane is sourced from PubChem (CID 167627399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).