1-(4-fluorophenyl)-3-hydroxycyclobutane-1-carbonitrile

C11H10FNO — CID 58380988

IUPAC1-(4-fluorophenyl)-3-hydroxycyclobutane-1-carbonitrile
SMILESN#CC1(c2ccc(F)cc2)CC(O)C1
InChIInChI=1S/C11H10FNO/c12-9-3-1-8(2-4-9)11(7-13)5-10(14)6-11/h1-4,10,14H,5-6H2
InChIKeyULIJSKFEYXIVAS-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.74
Rot. Bonds1

About 1-(4-fluorophenyl)-3-hydroxycyclobutane-1-carbonitrile

1-(4-fluorophenyl)-3-hydroxycyclobutane-1-carbonitrile (PubChem CID 58380988) has the molecular formula C11H10FNO and a molecular weight of 191.21 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-hydroxycyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-hydroxycyclobutane-1-carbonitrile
PubChem CID58380988
Molecular FormulaC11H10FNO
Molecular Weight191.21 g/mol
Exact Mass191.07
IUPAC Name1-(4-fluorophenyl)-3-hydroxycyclobutane-1-carbonitrile
SMILESN#CC1(c2ccc(F)cc2)CC(O)C1
InChIInChI=1S/C11H10FNO/c12-9-3-1-8(2-4-9)11(7-13)5-10(14)6-11/h1-4,10,14H,5-6H2
InChIKeyULIJSKFEYXIVAS-UHFFFAOYSA-N
XLogP1.74
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-hydroxycyclobutane-1-carbonitrile?
The IUPAC name of 1-(4-fluorophenyl)-3-hydroxycyclobutane-1-carbonitrile (CID 58380988) is 1-(4-fluorophenyl)-3-hydroxycyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(4-fluorophenyl)-3-hydroxycyclobutane-1-carbonitrile?
The canonical SMILES for 1-(4-fluorophenyl)-3-hydroxycyclobutane-1-carbonitrile is N#CC1(c2ccc(F)cc2)CC(O)C1.
What is the InChIKey of 1-(4-fluorophenyl)-3-hydroxycyclobutane-1-carbonitrile?
The InChIKey is ULIJSKFEYXIVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c12-9-3-1-8(2-4-9)11(7-13)5-10(14)6-11/h1-4,10,14H,5-6H2.
What are the key properties of 1-(4-fluorophenyl)-3-hydroxycyclobutane-1-carbonitrile?
1-(4-fluorophenyl)-3-hydroxycyclobutane-1-carbonitrile has a molecular weight of 191.21 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-hydroxycyclobutane-1-carbonitrile is sourced from PubChem (CID 58380988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).