(2S,3R)-3-(1-chloropropyl)-2-(3-fluorophenyl)oxolane

C13H16ClFO — CID 10586285

IUPAC(2S,3R)-3-(1-chloropropyl)-2-(3-fluorophenyl)oxolane
SMILESCCC(Cl)[C@@H]1CCO[C@@H]1c1cccc(F)c1
InChIInChI=1S/C13H16ClFO/c1-2-12(14)11-6-7-16-13(11)9-4-3-5-10(15)8-9/h3-5,8,11-13H,2,6-7H2,1H3/t11-,12?,13+/m0/s1
InChIKeyRTNNXEQEKNUUNO-IAMFDIQRSA-N
MW242.72 g/mol
LogP3.92
Rot. Bonds3

About (2S,3R)-3-(1-chloropropyl)-2-(3-fluorophenyl)oxolane

(2S,3R)-3-(1-chloropropyl)-2-(3-fluorophenyl)oxolane (PubChem CID 10586285) has the molecular formula C13H16ClFO and a molecular weight of 242.72 g/mol. Its IUPAC name is (2S,3R)-3-(1-chloropropyl)-2-(3-fluorophenyl)oxolane.

Molecular Properties

Compound Name(2S,3R)-3-(1-chloropropyl)-2-(3-fluorophenyl)oxolane
PubChem CID10586285
Molecular FormulaC13H16ClFO
Molecular Weight242.72 g/mol
Exact Mass242.09
IUPAC Name(2S,3R)-3-(1-chloropropyl)-2-(3-fluorophenyl)oxolane
SMILESCCC(Cl)[C@@H]1CCO[C@@H]1c1cccc(F)c1
InChIInChI=1S/C13H16ClFO/c1-2-12(14)11-6-7-16-13(11)9-4-3-5-10(15)8-9/h3-5,8,11-13H,2,6-7H2,1H3/t11-,12?,13+/m0/s1
InChIKeyRTNNXEQEKNUUNO-IAMFDIQRSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(1-chloropropyl)-2-(3-fluorophenyl)oxolane?
The IUPAC name of (2S,3R)-3-(1-chloropropyl)-2-(3-fluorophenyl)oxolane (CID 10586285) is (2S,3R)-3-(1-chloropropyl)-2-(3-fluorophenyl)oxolane.
What is the SMILES notation for (2S,3R)-3-(1-chloropropyl)-2-(3-fluorophenyl)oxolane?
The canonical SMILES for (2S,3R)-3-(1-chloropropyl)-2-(3-fluorophenyl)oxolane is CCC(Cl)[C@@H]1CCO[C@@H]1c1cccc(F)c1.
What is the InChIKey of (2S,3R)-3-(1-chloropropyl)-2-(3-fluorophenyl)oxolane?
The InChIKey is RTNNXEQEKNUUNO-IAMFDIQRSA-N. The full InChI is InChI=1S/C13H16ClFO/c1-2-12(14)11-6-7-16-13(11)9-4-3-5-10(15)8-9/h3-5,8,11-13H,2,6-7H2,1H3/t11-,12?,13+/m0/s1.
What are the key properties of (2S,3R)-3-(1-chloropropyl)-2-(3-fluorophenyl)oxolane?
(2S,3R)-3-(1-chloropropyl)-2-(3-fluorophenyl)oxolane has a molecular weight of 242.72 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(1-chloropropyl)-2-(3-fluorophenyl)oxolane is sourced from PubChem (CID 10586285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).