3-fluoro-3-(methoxymethyl)cyclobutane-1-carbonitrile

C7H10FNO — CID 168857222

IUPAC3-fluoro-3-(methoxymethyl)cyclobutane-1-carbonitrile
SMILESCOCC1(F)CC(C#N)C1
InChIInChI=1S/C7H10FNO/c1-10-5-7(8)2-6(3-7)4-9/h6H,2-3,5H2,1H3
InChIKeyQQOAHCKFBRQOBG-UHFFFAOYSA-N
MW143.16 g/mol
LogP1.27
Rot. Bonds2

About 3-fluoro-3-(methoxymethyl)cyclobutane-1-carbonitrile

3-fluoro-3-(methoxymethyl)cyclobutane-1-carbonitrile (PubChem CID 168857222) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is 3-fluoro-3-(methoxymethyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-fluoro-3-(methoxymethyl)cyclobutane-1-carbonitrile
PubChem CID168857222
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name3-fluoro-3-(methoxymethyl)cyclobutane-1-carbonitrile
SMILESCOCC1(F)CC(C#N)C1
InChIInChI=1S/C7H10FNO/c1-10-5-7(8)2-6(3-7)4-9/h6H,2-3,5H2,1H3
InChIKeyQQOAHCKFBRQOBG-UHFFFAOYSA-N
XLogP1.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(methoxymethyl)cyclobutane-1-carbonitrile?
The IUPAC name of 3-fluoro-3-(methoxymethyl)cyclobutane-1-carbonitrile (CID 168857222) is 3-fluoro-3-(methoxymethyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-fluoro-3-(methoxymethyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 3-fluoro-3-(methoxymethyl)cyclobutane-1-carbonitrile is COCC1(F)CC(C#N)C1.
What is the InChIKey of 3-fluoro-3-(methoxymethyl)cyclobutane-1-carbonitrile?
The InChIKey is QQOAHCKFBRQOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c1-10-5-7(8)2-6(3-7)4-9/h6H,2-3,5H2,1H3.
What are the key properties of 3-fluoro-3-(methoxymethyl)cyclobutane-1-carbonitrile?
3-fluoro-3-(methoxymethyl)cyclobutane-1-carbonitrile has a molecular weight of 143.16 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(methoxymethyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 168857222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).