(2R,3S)-3-ethenyl-2-(fluoromethyl)-4-methyloxolane

C8H13FO — CID 174083422

IUPAC(2R,3S)-3-ethenyl-2-(fluoromethyl)-4-methyloxolane
SMILESC=C[C@H]1C(C)CO[C@H]1CF
InChIInChI=1S/C8H13FO/c1-3-7-6(2)5-10-8(7)4-9/h3,6-8H,1,4-5H2,2H3/t6?,7-,8-/m0/s1
InChIKeyYMOWCCVHJMQHDT-ALKRTJFJSA-N
MW144.19 g/mol
LogP1.79
Rot. Bonds2

About (2R,3S)-3-ethenyl-2-(fluoromethyl)-4-methyloxolane

(2R,3S)-3-ethenyl-2-(fluoromethyl)-4-methyloxolane (PubChem CID 174083422) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is (2R,3S)-3-ethenyl-2-(fluoromethyl)-4-methyloxolane.

Molecular Properties

Compound Name(2R,3S)-3-ethenyl-2-(fluoromethyl)-4-methyloxolane
PubChem CID174083422
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name(2R,3S)-3-ethenyl-2-(fluoromethyl)-4-methyloxolane
SMILESC=C[C@H]1C(C)CO[C@H]1CF
InChIInChI=1S/C8H13FO/c1-3-7-6(2)5-10-8(7)4-9/h3,6-8H,1,4-5H2,2H3/t6?,7-,8-/m0/s1
InChIKeyYMOWCCVHJMQHDT-ALKRTJFJSA-N
XLogP1.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,3S)-3-ethenyl-2-(fluoromethyl)-4-methyloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-ethenyl-2-(fluoromethyl)-4-methyloxolane?
The IUPAC name of (2R,3S)-3-ethenyl-2-(fluoromethyl)-4-methyloxolane (CID 174083422) is (2R,3S)-3-ethenyl-2-(fluoromethyl)-4-methyloxolane.
What is the SMILES notation for (2R,3S)-3-ethenyl-2-(fluoromethyl)-4-methyloxolane?
The canonical SMILES for (2R,3S)-3-ethenyl-2-(fluoromethyl)-4-methyloxolane is C=C[C@H]1C(C)CO[C@H]1CF.
What is the InChIKey of (2R,3S)-3-ethenyl-2-(fluoromethyl)-4-methyloxolane?
The InChIKey is YMOWCCVHJMQHDT-ALKRTJFJSA-N. The full InChI is InChI=1S/C8H13FO/c1-3-7-6(2)5-10-8(7)4-9/h3,6-8H,1,4-5H2,2H3/t6?,7-,8-/m0/s1.
What are the key properties of (2R,3S)-3-ethenyl-2-(fluoromethyl)-4-methyloxolane?
(2R,3S)-3-ethenyl-2-(fluoromethyl)-4-methyloxolane has a molecular weight of 144.19 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-ethenyl-2-(fluoromethyl)-4-methyloxolane is sourced from PubChem (CID 174083422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).