(2S,3S)-2-(chloromethyl)-3-fluorooxane

C6H10ClFO — CID 101136292

IUPAC(2S,3S)-2-(chloromethyl)-3-fluorooxane
SMILESF[C@H]1CCCO[C@@H]1CCl
InChIInChI=1S/C6H10ClFO/c7-4-6-5(8)2-1-3-9-6/h5-6H,1-4H2/t5-,6+/m0/s1
InChIKeyFSXPNDRRLYLFGI-NTSWFWBYSA-N
MW152.60 g/mol
LogP1.74
Rot. Bonds1

About (2S,3S)-2-(chloromethyl)-3-fluorooxane

(2S,3S)-2-(chloromethyl)-3-fluorooxane (PubChem CID 101136292) has the molecular formula C6H10ClFO and a molecular weight of 152.60 g/mol. Its IUPAC name is (2S,3S)-2-(chloromethyl)-3-fluorooxane.

Molecular Properties

Compound Name(2S,3S)-2-(chloromethyl)-3-fluorooxane
PubChem CID101136292
Molecular FormulaC6H10ClFO
Molecular Weight152.60 g/mol
Exact Mass152.04
IUPAC Name(2S,3S)-2-(chloromethyl)-3-fluorooxane
SMILESF[C@H]1CCCO[C@@H]1CCl
InChIInChI=1S/C6H10ClFO/c7-4-6-5(8)2-1-3-9-6/h5-6H,1-4H2/t5-,6+/m0/s1
InChIKeyFSXPNDRRLYLFGI-NTSWFWBYSA-N
XLogP1.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.60
LogP ≤ 51.74
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,3S)-2-(chloromethyl)-3-fluorooxane?
The IUPAC name of (2S,3S)-2-(chloromethyl)-3-fluorooxane (CID 101136292) is (2S,3S)-2-(chloromethyl)-3-fluorooxane.
What is the SMILES notation for (2S,3S)-2-(chloromethyl)-3-fluorooxane?
The canonical SMILES for (2S,3S)-2-(chloromethyl)-3-fluorooxane is F[C@H]1CCCO[C@@H]1CCl.
What is the InChIKey of (2S,3S)-2-(chloromethyl)-3-fluorooxane?
The InChIKey is FSXPNDRRLYLFGI-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H10ClFO/c7-4-6-5(8)2-1-3-9-6/h5-6H,1-4H2/t5-,6+/m0/s1.
What are the key properties of (2S,3S)-2-(chloromethyl)-3-fluorooxane?
(2S,3S)-2-(chloromethyl)-3-fluorooxane has a molecular weight of 152.60 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(chloromethyl)-3-fluorooxane is sourced from PubChem (CID 101136292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).