2-(2-fluorophenyl)acetonitrile;1-(2-fluorophenyl)cyclobutane-1-carbonitrile

C19H16F2N2 — CID 161142537

IUPAC2-(2-fluorophenyl)acetonitrile;1-(2-fluorophenyl)cyclobutane-1-carbonitrile
SMILESN#CC1(c2ccccc2F)CCC1.N#CCc1ccccc1F
InChIInChI=1S/C11H10FN.C8H6FN/c12-10-5-2-1-4-9(10)11(8-13)6-3-7-11;9-8-4-2-1-3-7(8)5-6-10/h1-2,4-5H,3,6-7H2;1-4H,5H2
InChIKeyUNQDODBWVGJLAC-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.66
Rot. Bonds2

About 2-(2-fluorophenyl)acetonitrile;1-(2-fluorophenyl)cyclobutane-1-carbonitrile

2-(2-fluorophenyl)acetonitrile;1-(2-fluorophenyl)cyclobutane-1-carbonitrile (PubChem CID 161142537) has the molecular formula C19H16F2N2 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)acetonitrile;1-(2-fluorophenyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)acetonitrile;1-(2-fluorophenyl)cyclobutane-1-carbonitrile
PubChem CID161142537
Molecular FormulaC19H16F2N2
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(2-fluorophenyl)acetonitrile;1-(2-fluorophenyl)cyclobutane-1-carbonitrile
SMILESN#CC1(c2ccccc2F)CCC1.N#CCc1ccccc1F
InChIInChI=1S/C11H10FN.C8H6FN/c12-10-5-2-1-4-9(10)11(8-13)6-3-7-11;9-8-4-2-1-3-7(8)5-6-10/h1-2,4-5H,3,6-7H2;1-4H,5H2
InChIKeyUNQDODBWVGJLAC-UHFFFAOYSA-N
XLogP4.66
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,5-Pentanetricarbonitrile, 3-phenyl-
CID 96634
1-Phenylcyclohexanecarbonitrile
CID 75148
2,2-Diphenylpropiononitrile
CID 79677
2,2-Diphenylbutyronitrile
CID 79678
2-Cyclohexyl-2,2-diphenylacetonitrile
CID 18331517
2,2-Diphenylcyclopropanecarbonitrile
CID 98397
4'-Fluoro-(1,1'-biphenyl)-4-carbonitrile
CID 1393040
1-(4-Fluorophenyl)cyclopropanecarbonitrile
CID 2781259
Alpha-benzyl-alpha-phenylhydrocinnamonitrile
CID 4349671
1-Phenylcyclobutanecarbonitrile
CID 84400
Benzene, 1-fluoro-4-(2-cyano-2-phenylethenyl)
CID 5376420
4-Cyano-4'-(Trifluoromethyl)biphenyl
CID 4368463

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)acetonitrile;1-(2-fluorophenyl)cyclobutane-1-carbonitrile?
The IUPAC name of 2-(2-fluorophenyl)acetonitrile;1-(2-fluorophenyl)cyclobutane-1-carbonitrile (CID 161142537) is 2-(2-fluorophenyl)acetonitrile;1-(2-fluorophenyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)acetonitrile;1-(2-fluorophenyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 2-(2-fluorophenyl)acetonitrile;1-(2-fluorophenyl)cyclobutane-1-carbonitrile is N#CC1(c2ccccc2F)CCC1.N#CCc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)acetonitrile;1-(2-fluorophenyl)cyclobutane-1-carbonitrile?
The InChIKey is UNQDODBWVGJLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN.C8H6FN/c12-10-5-2-1-4-9(10)11(8-13)6-3-7-11;9-8-4-2-1-3-7(8)5-6-10/h1-2,4-5H,3,6-7H2;1-4H,5H2.
What are the key properties of 2-(2-fluorophenyl)acetonitrile;1-(2-fluorophenyl)cyclobutane-1-carbonitrile?
2-(2-fluorophenyl)acetonitrile;1-(2-fluorophenyl)cyclobutane-1-carbonitrile has a molecular weight of 310.35 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)acetonitrile;1-(2-fluorophenyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 161142537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).