1-fluoro-3-[(2-methylpropan-2-yl)oxy]cyclobutane-1-carbonitrile

C9H14FNO — CID 171454191

IUPAC1-fluoro-3-[(2-methylpropan-2-yl)oxy]cyclobutane-1-carbonitrile
SMILESCC(C)(C)OC1CC(F)(C#N)C1
InChIInChI=1S/C9H14FNO/c1-8(2,3)12-7-4-9(10,5-7)6-11/h7H,4-5H2,1-3H3
InChIKeyYRGBWGHSGAEVQJ-UHFFFAOYSA-N
MW171.21 g/mol
LogP2.20
Rot. Bonds1

About 1-fluoro-3-[(2-methylpropan-2-yl)oxy]cyclobutane-1-carbonitrile

1-fluoro-3-[(2-methylpropan-2-yl)oxy]cyclobutane-1-carbonitrile (PubChem CID 171454191) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is 1-fluoro-3-[(2-methylpropan-2-yl)oxy]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-fluoro-3-[(2-methylpropan-2-yl)oxy]cyclobutane-1-carbonitrile
PubChem CID171454191
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name1-fluoro-3-[(2-methylpropan-2-yl)oxy]cyclobutane-1-carbonitrile
SMILESCC(C)(C)OC1CC(F)(C#N)C1
InChIInChI=1S/C9H14FNO/c1-8(2,3)12-7-4-9(10,5-7)6-11/h7H,4-5H2,1-3H3
InChIKeyYRGBWGHSGAEVQJ-UHFFFAOYSA-N
XLogP2.20
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(2-methylpropan-2-yl)oxy]cyclobutane-1-carbonitrile?
The IUPAC name of 1-fluoro-3-[(2-methylpropan-2-yl)oxy]cyclobutane-1-carbonitrile (CID 171454191) is 1-fluoro-3-[(2-methylpropan-2-yl)oxy]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-fluoro-3-[(2-methylpropan-2-yl)oxy]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-fluoro-3-[(2-methylpropan-2-yl)oxy]cyclobutane-1-carbonitrile is CC(C)(C)OC1CC(F)(C#N)C1.
What is the InChIKey of 1-fluoro-3-[(2-methylpropan-2-yl)oxy]cyclobutane-1-carbonitrile?
The InChIKey is YRGBWGHSGAEVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-8(2,3)12-7-4-9(10,5-7)6-11/h7H,4-5H2,1-3H3.
What are the key properties of 1-fluoro-3-[(2-methylpropan-2-yl)oxy]cyclobutane-1-carbonitrile?
1-fluoro-3-[(2-methylpropan-2-yl)oxy]cyclobutane-1-carbonitrile has a molecular weight of 171.21 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[(2-methylpropan-2-yl)oxy]cyclobutane-1-carbonitrile is sourced from PubChem (CID 171454191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).