3-(1,1-difluoropropyl)oxolane

C7H12F2O — CID 156547542

IUPAC3-(1,1-difluoropropyl)oxolane
SMILESCCC(F)(F)C1CCOC1
InChIInChI=1S/C7H12F2O/c1-2-7(8,9)6-3-4-10-5-6/h6H,2-5H2,1H3
InChIKeyTUMHGUGDPVLBIJ-UHFFFAOYSA-N
MW150.17 g/mol
LogP2.07
Rot. Bonds2

About 3-(1,1-difluoropropyl)oxolane

3-(1,1-difluoropropyl)oxolane (PubChem CID 156547542) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 3-(1,1-difluoropropyl)oxolane.

Molecular Properties

Compound Name3-(1,1-difluoropropyl)oxolane
PubChem CID156547542
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name3-(1,1-difluoropropyl)oxolane
SMILESCCC(F)(F)C1CCOC1
InChIInChI=1S/C7H12F2O/c1-2-7(8,9)6-3-4-10-5-6/h6H,2-5H2,1H3
InChIKeyTUMHGUGDPVLBIJ-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropyl)oxolane?
The IUPAC name of 3-(1,1-difluoropropyl)oxolane (CID 156547542) is 3-(1,1-difluoropropyl)oxolane.
What is the SMILES notation for 3-(1,1-difluoropropyl)oxolane?
The canonical SMILES for 3-(1,1-difluoropropyl)oxolane is CCC(F)(F)C1CCOC1.
What is the InChIKey of 3-(1,1-difluoropropyl)oxolane?
The InChIKey is TUMHGUGDPVLBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-2-7(8,9)6-3-4-10-5-6/h6H,2-5H2,1H3.
What are the key properties of 3-(1,1-difluoropropyl)oxolane?
3-(1,1-difluoropropyl)oxolane has a molecular weight of 150.17 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropyl)oxolane is sourced from PubChem (CID 156547542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).