3-(3-fluorophenyl)oxetane-3-carbonitrile

C10H8FNO — CID 112707055

IUPAC3-(3-fluorophenyl)oxetane-3-carbonitrile
SMILESN#CC1(c2cccc(F)c2)COC1
InChIInChI=1S/C10H8FNO/c11-9-3-1-2-8(4-9)10(5-12)6-13-7-10/h1-4H,6-7H2
InChIKeyULHQPHFLUWEBBE-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.62
Rot. Bonds1

About 3-(3-fluorophenyl)oxetane-3-carbonitrile

3-(3-fluorophenyl)oxetane-3-carbonitrile (PubChem CID 112707055) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 3-(3-fluorophenyl)oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-(3-fluorophenyl)oxetane-3-carbonitrile
PubChem CID112707055
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name3-(3-fluorophenyl)oxetane-3-carbonitrile
SMILESN#CC1(c2cccc(F)c2)COC1
InChIInChI=1S/C10H8FNO/c11-9-3-1-2-8(4-9)10(5-12)6-13-7-10/h1-4H,6-7H2
InChIKeyULHQPHFLUWEBBE-UHFFFAOYSA-N
XLogP1.62
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)oxetane-3-carbonitrile?
The IUPAC name of 3-(3-fluorophenyl)oxetane-3-carbonitrile (CID 112707055) is 3-(3-fluorophenyl)oxetane-3-carbonitrile.
What is the SMILES notation for 3-(3-fluorophenyl)oxetane-3-carbonitrile?
The canonical SMILES for 3-(3-fluorophenyl)oxetane-3-carbonitrile is N#CC1(c2cccc(F)c2)COC1.
What is the InChIKey of 3-(3-fluorophenyl)oxetane-3-carbonitrile?
The InChIKey is ULHQPHFLUWEBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c11-9-3-1-2-8(4-9)10(5-12)6-13-7-10/h1-4H,6-7H2.
What are the key properties of 3-(3-fluorophenyl)oxetane-3-carbonitrile?
3-(3-fluorophenyl)oxetane-3-carbonitrile has a molecular weight of 177.18 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)oxetane-3-carbonitrile is sourced from PubChem (CID 112707055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).