5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile

C11H10ClFN2 — CID 106437691

IUPAC5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile
SMILESC/C(=C/Cl)CNc1ccc(F)c(C#N)c1
InChIInChI=1S/C11H10ClFN2/c1-8(5-12)7-15-10-2-3-11(13)9(4-10)6-14/h2-5,15H,7H2,1H3/b8-5-
InChIKeyRXINTYJCBMIFIF-YVMONPNESA-N
MW224.67 g/mol
LogP3.25
Rot. Bonds3

About 5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile

5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile (PubChem CID 106437691) has the molecular formula C11H10ClFN2 and a molecular weight of 224.67 g/mol. Its IUPAC name is 5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile
PubChem CID106437691
Molecular FormulaC11H10ClFN2
Molecular Weight224.67 g/mol
Exact Mass224.05
IUPAC Name5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile
SMILESC/C(=C/Cl)CNc1ccc(F)c(C#N)c1
InChIInChI=1S/C11H10ClFN2/c1-8(5-12)7-15-10-2-3-11(13)9(4-10)6-14/h2-5,15H,7H2,1H3/b8-5-
InChIKeyRXINTYJCBMIFIF-YVMONPNESA-N
XLogP3.25
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(ethylamino)-2-fluorobenzonitrile
CID 62316083
2-fluoro-5-(3-methylbut-2-enylamino)benzonitrile
CID 107899874
5-(2-bromoprop-2-enylamino)-2-fluorobenzonitrile
CID 62316993
(Z)-4-(3-cyano-4-fluoroanilino)-2-methylbut-2-enoic acid
CID 103247888
2-fluoro-5-(2-methylpropylamino)benzonitrile
CID 62316780
N-butan-2-yl-2-(3-cyano-4-fluoroanilino)acetamide
CID 62317351
4-[[(E)-2,3-dichloroprop-2-enyl]amino]benzene-1,2-dicarbonitrile
CID 107789184
N-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-difluoroaniline
CID 106437391
2-(3-cyano-4-fluoroanilino)-N-phenylacetamide
CID 62317173
2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-6-fluorobenzonitrile
CID 106437488
3-(3-cyano-4-fluoroanilino)-2-methylpropanoic acid
CID 62316458
butyl 2-(3-cyano-4-fluoroanilino)acetate
CID 62316814

Frequently Asked Questions

What is the IUPAC name of 5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile?
The IUPAC name of 5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile (CID 106437691) is 5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile?
The canonical SMILES for 5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile is C/C(=C/Cl)CNc1ccc(F)c(C#N)c1.
What is the InChIKey of 5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile?
The InChIKey is RXINTYJCBMIFIF-YVMONPNESA-N. The full InChI is InChI=1S/C11H10ClFN2/c1-8(5-12)7-15-10-2-3-11(13)9(4-10)6-14/h2-5,15H,7H2,1H3/b8-5-.
What are the key properties of 5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile?
5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile has a molecular weight of 224.67 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile is sourced from PubChem (CID 106437691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).