1-amino-2-(2-fluoro-4-prop-1-enylphenyl)cyclobutane-1-carbonitrile

C14H15FN2 — CID 123554042

IUPAC1-amino-2-(2-fluoro-4-prop-1-enylphenyl)cyclobutane-1-carbonitrile
SMILESCC=Cc1ccc(C2CCC2(N)C#N)c(F)c1
InChIInChI=1S/C14H15FN2/c1-2-3-10-4-5-11(13(15)8-10)12-6-7-14(12,17)9-16/h2-5,8,12H,6-7,17H2,1H3
InChIKeyUXSGNWBZRAAYAN-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.96
Rot. Bonds2

About 1-amino-2-(2-fluoro-4-prop-1-enylphenyl)cyclobutane-1-carbonitrile

1-amino-2-(2-fluoro-4-prop-1-enylphenyl)cyclobutane-1-carbonitrile (PubChem CID 123554042) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-amino-2-(2-fluoro-4-prop-1-enylphenyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-(2-fluoro-4-prop-1-enylphenyl)cyclobutane-1-carbonitrile
PubChem CID123554042
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name1-amino-2-(2-fluoro-4-prop-1-enylphenyl)cyclobutane-1-carbonitrile
SMILESCC=Cc1ccc(C2CCC2(N)C#N)c(F)c1
InChIInChI=1S/C14H15FN2/c1-2-3-10-4-5-11(13(15)8-10)12-6-7-14(12,17)9-16/h2-5,8,12H,6-7,17H2,1H3
InChIKeyUXSGNWBZRAAYAN-UHFFFAOYSA-N
XLogP2.96
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-fluoro-4-prop-1-enylphenyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-amino-2-(2-fluoro-4-prop-1-enylphenyl)cyclobutane-1-carbonitrile (CID 123554042) is 1-amino-2-(2-fluoro-4-prop-1-enylphenyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-(2-fluoro-4-prop-1-enylphenyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-amino-2-(2-fluoro-4-prop-1-enylphenyl)cyclobutane-1-carbonitrile is CC=Cc1ccc(C2CCC2(N)C#N)c(F)c1.
What is the InChIKey of 1-amino-2-(2-fluoro-4-prop-1-enylphenyl)cyclobutane-1-carbonitrile?
The InChIKey is UXSGNWBZRAAYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-2-3-10-4-5-11(13(15)8-10)12-6-7-14(12,17)9-16/h2-5,8,12H,6-7,17H2,1H3.
What are the key properties of 1-amino-2-(2-fluoro-4-prop-1-enylphenyl)cyclobutane-1-carbonitrile?
1-amino-2-(2-fluoro-4-prop-1-enylphenyl)cyclobutane-1-carbonitrile has a molecular weight of 230.29 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-fluoro-4-prop-1-enylphenyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 123554042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).