2-[[(Z)-2,3-dichloroprop-2-enyl]amino]-5-fluorobenzonitrile

C10H7Cl2FN2 — CID 82015391

IUPAC2-[[(Z)-2,3-dichloroprop-2-enyl]amino]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1NC/C(Cl)=C/Cl
InChIInChI=1S/C10H7Cl2FN2/c11-4-8(12)6-15-10-2-1-9(13)3-7(10)5-14/h1-4,15H,6H2/b8-4-
InChIKeyGNKMNLDMLWZORB-YWEYNIOJSA-N
MW245.08 g/mol
LogP3.43
Rot. Bonds3

About 2-[[(Z)-2,3-dichloroprop-2-enyl]amino]-5-fluorobenzonitrile

2-[[(Z)-2,3-dichloroprop-2-enyl]amino]-5-fluorobenzonitrile (PubChem CID 82015391) has the molecular formula C10H7Cl2FN2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 2-[[(Z)-2,3-dichloroprop-2-enyl]amino]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[[(Z)-2,3-dichloroprop-2-enyl]amino]-5-fluorobenzonitrile
PubChem CID82015391
Molecular FormulaC10H7Cl2FN2
Molecular Weight245.08 g/mol
Exact Mass244.00
IUPAC Name2-[[(Z)-2,3-dichloroprop-2-enyl]amino]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1NC/C(Cl)=C/Cl
InChIInChI=1S/C10H7Cl2FN2/c11-4-8(12)6-15-10-2-1-9(13)3-7(10)5-14/h1-4,15H,6H2/b8-4-
InChIKeyGNKMNLDMLWZORB-YWEYNIOJSA-N
XLogP3.43
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dichloroprop-2-enyl)-4-fluoro-2-iodoaniline
CID 79769670
4-[[(E)-2,3-dichloroprop-2-enyl]amino]benzene-1,2-dicarbonitrile
CID 107789184
5-fluoro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 82015763
5-fluoro-2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 79771129
5-fluoro-2-[(3-fluoro-4-hydroxyphenyl)methylamino]benzonitrile
CID 103703300
2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile
CID 82012960
2-[(3-ethyl-2-hydroxypentyl)amino]-5-fluorobenzonitrile
CID 113243820
5-fluoro-2-[(3,4,5-trifluorophenyl)methylamino]benzonitrile
CID 82014691
4-(2-cyano-4-fluoroanilino)-N-methylbutanamide
CID 82015205
5-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]benzonitrile
CID 79479526
2-[[4-(2-aminoethyl)phenyl]methylamino]-5-fluorobenzonitrile
CID 63674991
4-(2-cyano-4-fluoroanilino)butanamide
CID 55248881

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-2,3-dichloroprop-2-enyl]amino]-5-fluorobenzonitrile?
The IUPAC name of 2-[[(Z)-2,3-dichloroprop-2-enyl]amino]-5-fluorobenzonitrile (CID 82015391) is 2-[[(Z)-2,3-dichloroprop-2-enyl]amino]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[[(Z)-2,3-dichloroprop-2-enyl]amino]-5-fluorobenzonitrile?
The canonical SMILES for 2-[[(Z)-2,3-dichloroprop-2-enyl]amino]-5-fluorobenzonitrile is N#Cc1cc(F)ccc1NC/C(Cl)=C/Cl.
What is the InChIKey of 2-[[(Z)-2,3-dichloroprop-2-enyl]amino]-5-fluorobenzonitrile?
The InChIKey is GNKMNLDMLWZORB-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H7Cl2FN2/c11-4-8(12)6-15-10-2-1-9(13)3-7(10)5-14/h1-4,15H,6H2/b8-4-.
What are the key properties of 2-[[(Z)-2,3-dichloroprop-2-enyl]amino]-5-fluorobenzonitrile?
2-[[(Z)-2,3-dichloroprop-2-enyl]amino]-5-fluorobenzonitrile has a molecular weight of 245.08 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2,3-dichloroprop-2-enyl]amino]-5-fluorobenzonitrile is sourced from PubChem (CID 82015391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).