(3R)-3-[3-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2-oxazolidine

C17H14FNO — CID 166110101

IUPAC(3R)-3-[3-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2-oxazolidine
SMILESFc1cccc(C#Cc2cccc([C@H]3CCON3)c2)c1
InChIInChI=1S/C17H14FNO/c18-16-6-2-4-14(12-16)8-7-13-3-1-5-15(11-13)17-9-10-20-19-17/h1-6,11-12,17,19H,9-10H2/t17-/m1/s1
InChIKeyBFXUSWGODSOUKE-QGZVFWFLSA-N
MW267.30 g/mol
LogP3.19
Rot. Bonds1

About (3R)-3-[3-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2-oxazolidine

(3R)-3-[3-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2-oxazolidine (PubChem CID 166110101) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is (3R)-3-[3-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2-oxazolidine.

Molecular Properties

Compound Name(3R)-3-[3-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2-oxazolidine
PubChem CID166110101
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name(3R)-3-[3-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2-oxazolidine
SMILESFc1cccc(C#Cc2cccc([C@H]3CCON3)c2)c1
InChIInChI=1S/C17H14FNO/c18-16-6-2-4-14(12-16)8-7-13-3-1-5-15(11-13)17-9-10-20-19-17/h1-6,11-12,17,19H,9-10H2/t17-/m1/s1
InChIKeyBFXUSWGODSOUKE-QGZVFWFLSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2-oxazolidine?
The IUPAC name of (3R)-3-[3-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2-oxazolidine (CID 166110101) is (3R)-3-[3-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2-oxazolidine.
What is the SMILES notation for (3R)-3-[3-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2-oxazolidine?
The canonical SMILES for (3R)-3-[3-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2-oxazolidine is Fc1cccc(C#Cc2cccc([C@H]3CCON3)c2)c1.
What is the InChIKey of (3R)-3-[3-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2-oxazolidine?
The InChIKey is BFXUSWGODSOUKE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H14FNO/c18-16-6-2-4-14(12-16)8-7-13-3-1-5-15(11-13)17-9-10-20-19-17/h1-6,11-12,17,19H,9-10H2/t17-/m1/s1.
What are the key properties of (3R)-3-[3-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2-oxazolidine?
(3R)-3-[3-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2-oxazolidine has a molecular weight of 267.30 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-[2-(3-fluorophenyl)ethynyl]phenyl]-1,2-oxazolidine is sourced from PubChem (CID 166110101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).