5-(2-bromoprop-2-enylamino)-2-fluorobenzonitrile

C10H8BrFN2 — CID 62316993

IUPAC5-(2-bromoprop-2-enylamino)-2-fluorobenzonitrile
SMILESC=C(Br)CNc1ccc(F)c(C#N)c1
InChIInChI=1S/C10H8BrFN2/c1-7(11)6-14-9-2-3-10(12)8(4-9)5-13/h2-4,14H,1,6H2
InChIKeyXDSNUTOTJAOYCW-UHFFFAOYSA-N
MW255.09 g/mol
LogP3.02
Rot. Bonds3

About 5-(2-bromoprop-2-enylamino)-2-fluorobenzonitrile

5-(2-bromoprop-2-enylamino)-2-fluorobenzonitrile (PubChem CID 62316993) has the molecular formula C10H8BrFN2 and a molecular weight of 255.09 g/mol. Its IUPAC name is 5-(2-bromoprop-2-enylamino)-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-(2-bromoprop-2-enylamino)-2-fluorobenzonitrile
PubChem CID62316993
Molecular FormulaC10H8BrFN2
Molecular Weight255.09 g/mol
Exact Mass253.99
IUPAC Name5-(2-bromoprop-2-enylamino)-2-fluorobenzonitrile
SMILESC=C(Br)CNc1ccc(F)c(C#N)c1
InChIInChI=1S/C10H8BrFN2/c1-7(11)6-14-9-2-3-10(12)8(4-9)5-13/h2-4,14H,1,6H2
InChIKeyXDSNUTOTJAOYCW-UHFFFAOYSA-N
XLogP3.02
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.09
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(ethylamino)-2-fluorobenzonitrile
CID 62316083
5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile
CID 106437691
N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide
CID 62317531
2-fluoro-5-(3-methylbut-2-enylamino)benzonitrile
CID 107899874
2-(3-cyano-4-fluoroanilino)-N-phenylacetamide
CID 62317173
N-(2-bromoprop-2-enyl)-4-chloro-3-fluoroaniline
CID 61467052
2-fluoro-5-(2-methylpropylamino)benzonitrile
CID 62316780
2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 62318189
2-(3-cyano-4-fluoroanilino)-N-(2-fluorophenyl)acetamide
CID 62317346
N-butan-2-yl-2-(3-cyano-4-fluoroanilino)acetamide
CID 62317351
5-(4-cyanobutylamino)-2-fluorobenzonitrile
CID 62316279
5-(cyclohexylmethylamino)-2-fluorobenzonitrile
CID 62317493

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoprop-2-enylamino)-2-fluorobenzonitrile?
The IUPAC name of 5-(2-bromoprop-2-enylamino)-2-fluorobenzonitrile (CID 62316993) is 5-(2-bromoprop-2-enylamino)-2-fluorobenzonitrile.
What is the SMILES notation for 5-(2-bromoprop-2-enylamino)-2-fluorobenzonitrile?
The canonical SMILES for 5-(2-bromoprop-2-enylamino)-2-fluorobenzonitrile is C=C(Br)CNc1ccc(F)c(C#N)c1.
What is the InChIKey of 5-(2-bromoprop-2-enylamino)-2-fluorobenzonitrile?
The InChIKey is XDSNUTOTJAOYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2/c1-7(11)6-14-9-2-3-10(12)8(4-9)5-13/h2-4,14H,1,6H2.
What are the key properties of 5-(2-bromoprop-2-enylamino)-2-fluorobenzonitrile?
5-(2-bromoprop-2-enylamino)-2-fluorobenzonitrile has a molecular weight of 255.09 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoprop-2-enylamino)-2-fluorobenzonitrile is sourced from PubChem (CID 62316993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).