(2R,4R)-2-(azidomethyl)-4-(3-fluorophenyl)oxolane

C11H12FN3O — CID 125456725

IUPAC(2R,4R)-2-(azidomethyl)-4-(3-fluorophenyl)oxolane
SMILES[N-]=[N+]=NC[C@H]1C[C@H](c2cccc(F)c2)CO1
InChIInChI=1S/C11H12FN3O/c12-10-3-1-2-8(4-10)9-5-11(16-7-9)6-14-15-13/h1-4,9,11H,5-7H2/t9-,11+/m0/s1
InChIKeyQYCIRXQYAMUFDB-GXSJLCMTSA-N
MW221.23 g/mol
LogP3.01
Rot. Bonds3

About (2R,4R)-2-(azidomethyl)-4-(3-fluorophenyl)oxolane

(2R,4R)-2-(azidomethyl)-4-(3-fluorophenyl)oxolane (PubChem CID 125456725) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is (2R,4R)-2-(azidomethyl)-4-(3-fluorophenyl)oxolane.

Molecular Properties

Compound Name(2R,4R)-2-(azidomethyl)-4-(3-fluorophenyl)oxolane
PubChem CID125456725
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name(2R,4R)-2-(azidomethyl)-4-(3-fluorophenyl)oxolane
SMILES[N-]=[N+]=NC[C@H]1C[C@H](c2cccc(F)c2)CO1
InChIInChI=1S/C11H12FN3O/c12-10-3-1-2-8(4-10)9-5-11(16-7-9)6-14-15-13/h1-4,9,11H,5-7H2/t9-,11+/m0/s1
InChIKeyQYCIRXQYAMUFDB-GXSJLCMTSA-N
XLogP3.01
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(azidomethyl)-4-(3-methylphenyl)oxolane
CID 165454944
[5-(3-fluorophenyl)oxan-2-yl]methanamine
CID 165449279
(2S,4R)-2-(azidomethyl)-4-(2-methoxyphenyl)oxolane
CID 125456577
(2S,4R)-2-(iodomethyl)-4-(3-methoxyphenyl)oxolane
CID 125455983
(2S,4S)-2-(azidomethyl)-4-cyclopropyloxolane
CID 125457051
(2R,4S)-2-(azidomethyl)-4-cyclopropyloxolane
CID 125457049
(2R,4R)-2-(azidomethyl)-4-cyclopropyloxolane
CID 125457050
(2S,4R)-2-(azidomethyl)-4-(trifluoromethyl)oxolane
CID 125456426
4-(3-fluorophenyl)-1,2-oxazolidine
CID 105433367
N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
CID 82686213
3-(azidomethyl)-5-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine
CID 91428665
4-(chloromethyl)-2-(3-fluorophenyl)-1,3-dioxolane
CID 82776808

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(azidomethyl)-4-(3-fluorophenyl)oxolane?
The IUPAC name of (2R,4R)-2-(azidomethyl)-4-(3-fluorophenyl)oxolane (CID 125456725) is (2R,4R)-2-(azidomethyl)-4-(3-fluorophenyl)oxolane.
What is the SMILES notation for (2R,4R)-2-(azidomethyl)-4-(3-fluorophenyl)oxolane?
The canonical SMILES for (2R,4R)-2-(azidomethyl)-4-(3-fluorophenyl)oxolane is [N-]=[N+]=NC[C@H]1C[C@H](c2cccc(F)c2)CO1.
What is the InChIKey of (2R,4R)-2-(azidomethyl)-4-(3-fluorophenyl)oxolane?
The InChIKey is QYCIRXQYAMUFDB-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-10-3-1-2-8(4-10)9-5-11(16-7-9)6-14-15-13/h1-4,9,11H,5-7H2/t9-,11+/m0/s1.
What are the key properties of (2R,4R)-2-(azidomethyl)-4-(3-fluorophenyl)oxolane?
(2R,4R)-2-(azidomethyl)-4-(3-fluorophenyl)oxolane has a molecular weight of 221.23 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(azidomethyl)-4-(3-fluorophenyl)oxolane is sourced from PubChem (CID 125456725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).