(2S,5S)-3,3-difluoro-5-(iodomethyl)-2-methyloxolane

C6H9F2IO — CID 10706569

IUPAC(2S,5S)-3,3-difluoro-5-(iodomethyl)-2-methyloxolane
SMILESC[C@@H]1O[C@H](CI)CC1(F)F
InChIInChI=1S/C6H9F2IO/c1-4-6(7,8)2-5(3-9)10-4/h4-5H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyODSIUXKHMARSHW-WHFBIAKZSA-N
MW262.04 g/mol
LogP2.23
Rot. Bonds1

About (2S,5S)-3,3-difluoro-5-(iodomethyl)-2-methyloxolane

(2S,5S)-3,3-difluoro-5-(iodomethyl)-2-methyloxolane (PubChem CID 10706569) has the molecular formula C6H9F2IO and a molecular weight of 262.04 g/mol. Its IUPAC name is (2S,5S)-3,3-difluoro-5-(iodomethyl)-2-methyloxolane.

Molecular Properties

Compound Name(2S,5S)-3,3-difluoro-5-(iodomethyl)-2-methyloxolane
PubChem CID10706569
Molecular FormulaC6H9F2IO
Molecular Weight262.04 g/mol
Exact Mass261.97
IUPAC Name(2S,5S)-3,3-difluoro-5-(iodomethyl)-2-methyloxolane
SMILESC[C@@H]1O[C@H](CI)CC1(F)F
InChIInChI=1S/C6H9F2IO/c1-4-6(7,8)2-5(3-9)10-4/h4-5H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyODSIUXKHMARSHW-WHFBIAKZSA-N
XLogP2.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.04
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-3,3-difluoro-5-(iodomethyl)-2-methyloxolane?
The IUPAC name of (2S,5S)-3,3-difluoro-5-(iodomethyl)-2-methyloxolane (CID 10706569) is (2S,5S)-3,3-difluoro-5-(iodomethyl)-2-methyloxolane.
What is the SMILES notation for (2S,5S)-3,3-difluoro-5-(iodomethyl)-2-methyloxolane?
The canonical SMILES for (2S,5S)-3,3-difluoro-5-(iodomethyl)-2-methyloxolane is C[C@@H]1O[C@H](CI)CC1(F)F.
What is the InChIKey of (2S,5S)-3,3-difluoro-5-(iodomethyl)-2-methyloxolane?
The InChIKey is ODSIUXKHMARSHW-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H9F2IO/c1-4-6(7,8)2-5(3-9)10-4/h4-5H,2-3H2,1H3/t4-,5-/m0/s1.
What are the key properties of (2S,5S)-3,3-difluoro-5-(iodomethyl)-2-methyloxolane?
(2S,5S)-3,3-difluoro-5-(iodomethyl)-2-methyloxolane has a molecular weight of 262.04 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-3,3-difluoro-5-(iodomethyl)-2-methyloxolane is sourced from PubChem (CID 10706569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).