(5R)-5-(difluoromethyl)-3-methylideneoxolan-2-one

C6H6F2O2 — CID 10701964

IUPAC(5R)-5-(difluoromethyl)-3-methylideneoxolan-2-one
SMILESC=C1C[C@H](C(F)F)OC1=O
InChIInChI=1S/C6H6F2O2/c1-3-2-4(5(7)8)10-6(3)9/h4-5H,1-2H2/t4-/m1/s1
InChIKeyDDUXZMNNYHUNJA-SCSAIBSYSA-N
MW148.11 g/mol
LogP1.12
Rot. Bonds1

About (5R)-5-(difluoromethyl)-3-methylideneoxolan-2-one

(5R)-5-(difluoromethyl)-3-methylideneoxolan-2-one (PubChem CID 10701964) has the molecular formula C6H6F2O2 and a molecular weight of 148.11 g/mol. Its IUPAC name is (5R)-5-(difluoromethyl)-3-methylideneoxolan-2-one.

Molecular Properties

Compound Name(5R)-5-(difluoromethyl)-3-methylideneoxolan-2-one
PubChem CID10701964
Molecular FormulaC6H6F2O2
Molecular Weight148.11 g/mol
Exact Mass148.03
IUPAC Name(5R)-5-(difluoromethyl)-3-methylideneoxolan-2-one
SMILESC=C1C[C@H](C(F)F)OC1=O
InChIInChI=1S/C6H6F2O2/c1-3-2-4(5(7)8)10-6(3)9/h4-5H,1-2H2/t4-/m1/s1
InChIKeyDDUXZMNNYHUNJA-SCSAIBSYSA-N
XLogP1.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(difluoromethyl)-3-methylideneoxolan-2-one?
The IUPAC name of (5R)-5-(difluoromethyl)-3-methylideneoxolan-2-one (CID 10701964) is (5R)-5-(difluoromethyl)-3-methylideneoxolan-2-one.
What is the SMILES notation for (5R)-5-(difluoromethyl)-3-methylideneoxolan-2-one?
The canonical SMILES for (5R)-5-(difluoromethyl)-3-methylideneoxolan-2-one is C=C1C[C@H](C(F)F)OC1=O.
What is the InChIKey of (5R)-5-(difluoromethyl)-3-methylideneoxolan-2-one?
The InChIKey is DDUXZMNNYHUNJA-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H6F2O2/c1-3-2-4(5(7)8)10-6(3)9/h4-5H,1-2H2/t4-/m1/s1.
What are the key properties of (5R)-5-(difluoromethyl)-3-methylideneoxolan-2-one?
(5R)-5-(difluoromethyl)-3-methylideneoxolan-2-one has a molecular weight of 148.11 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(difluoromethyl)-3-methylideneoxolan-2-one is sourced from PubChem (CID 10701964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).