4-(cyclobutanecarbonyl)-2-fluorobenzonitrile

C12H10FNO — CID 130136934

IUPAC4-(cyclobutanecarbonyl)-2-fluorobenzonitrile
SMILESN#Cc1ccc(C(=O)C2CCC2)cc1F
InChIInChI=1S/C12H10FNO/c13-11-6-9(4-5-10(11)7-14)12(15)8-2-1-3-8/h4-6,8H,1-3H2
InChIKeyZIPSRUSIHMDZDB-UHFFFAOYSA-N
MW203.22 g/mol
LogP2.68
Rot. Bonds2

About 4-(cyclobutanecarbonyl)-2-fluorobenzonitrile

4-(cyclobutanecarbonyl)-2-fluorobenzonitrile (PubChem CID 130136934) has the molecular formula C12H10FNO and a molecular weight of 203.22 g/mol. Its IUPAC name is 4-(cyclobutanecarbonyl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(cyclobutanecarbonyl)-2-fluorobenzonitrile
PubChem CID130136934
Molecular FormulaC12H10FNO
Molecular Weight203.22 g/mol
Exact Mass203.07
IUPAC Name4-(cyclobutanecarbonyl)-2-fluorobenzonitrile
SMILESN#Cc1ccc(C(=O)C2CCC2)cc1F
InChIInChI=1S/C12H10FNO/c13-11-6-9(4-5-10(11)7-14)12(15)8-2-1-3-8/h4-6,8H,1-3H2
InChIKeyZIPSRUSIHMDZDB-UHFFFAOYSA-N
XLogP2.68
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutanecarbonyl)-2-fluorobenzonitrile?
The IUPAC name of 4-(cyclobutanecarbonyl)-2-fluorobenzonitrile (CID 130136934) is 4-(cyclobutanecarbonyl)-2-fluorobenzonitrile.
What is the SMILES notation for 4-(cyclobutanecarbonyl)-2-fluorobenzonitrile?
The canonical SMILES for 4-(cyclobutanecarbonyl)-2-fluorobenzonitrile is N#Cc1ccc(C(=O)C2CCC2)cc1F.
What is the InChIKey of 4-(cyclobutanecarbonyl)-2-fluorobenzonitrile?
The InChIKey is ZIPSRUSIHMDZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO/c13-11-6-9(4-5-10(11)7-14)12(15)8-2-1-3-8/h4-6,8H,1-3H2.
What are the key properties of 4-(cyclobutanecarbonyl)-2-fluorobenzonitrile?
4-(cyclobutanecarbonyl)-2-fluorobenzonitrile has a molecular weight of 203.22 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutanecarbonyl)-2-fluorobenzonitrile is sourced from PubChem (CID 130136934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).