4-(2-chloroprop-2-enylamino)-2,3-difluorobenzonitrile

C10H7ClF2N2 — CID 107934150

IUPAC4-(2-chloroprop-2-enylamino)-2,3-difluorobenzonitrile
SMILESC=C(Cl)CNc1ccc(C#N)c(F)c1F
InChIInChI=1S/C10H7ClF2N2/c1-6(11)5-15-8-3-2-7(4-14)9(12)10(8)13/h2-3,15H,1,5H2
InChIKeyRFIXKRHSNFOBJB-UHFFFAOYSA-N
MW228.63 g/mol
LogP3.00
Rot. Bonds3

About 4-(2-chloroprop-2-enylamino)-2,3-difluorobenzonitrile

4-(2-chloroprop-2-enylamino)-2,3-difluorobenzonitrile (PubChem CID 107934150) has the molecular formula C10H7ClF2N2 and a molecular weight of 228.63 g/mol. Its IUPAC name is 4-(2-chloroprop-2-enylamino)-2,3-difluorobenzonitrile.

Molecular Properties

Compound Name4-(2-chloroprop-2-enylamino)-2,3-difluorobenzonitrile
PubChem CID107934150
Molecular FormulaC10H7ClF2N2
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Name4-(2-chloroprop-2-enylamino)-2,3-difluorobenzonitrile
SMILESC=C(Cl)CNc1ccc(C#N)c(F)c1F
InChIInChI=1S/C10H7ClF2N2/c1-6(11)5-15-8-3-2-7(4-14)9(12)10(8)13/h2-3,15H,1,5H2
InChIKeyRFIXKRHSNFOBJB-UHFFFAOYSA-N
XLogP3.00
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(4-cyano-2,3-difluoroanilino)acetate
CID 107933408
2,3-difluoro-4-(prop-2-ynylamino)benzonitrile
CID 107933287
2,3-difluoro-4-(6-hydroxyhexylamino)benzonitrile
CID 107934321
4-[(4-chlorophenyl)methylamino]-2,3-difluorobenzonitrile
CID 107933302
2-(2-chloroprop-2-enylamino)-5-nitrobenzonitrile
CID 115637263
2-(4-cyano-2,3-difluoroanilino)ethylurea
CID 107934087
4-(2-ethoxypropylamino)-2,3-difluorobenzonitrile
CID 107934163
2,3-difluoro-4-(2-phenylethylamino)benzonitrile
CID 107933230
4-[2-(3,5-difluorophenyl)ethylamino]-2,3-difluorobenzonitrile
CID 107933737
2-(3-bromo-4-cyano-2-fluoroanilino)acetic acid
CID 107532791
4-[2-(5-chlorothiophen-2-yl)ethylamino]-2,3-difluorobenzonitrile
CID 106034926
2,3-difluoro-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile
CID 107933931

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroprop-2-enylamino)-2,3-difluorobenzonitrile?
The IUPAC name of 4-(2-chloroprop-2-enylamino)-2,3-difluorobenzonitrile (CID 107934150) is 4-(2-chloroprop-2-enylamino)-2,3-difluorobenzonitrile.
What is the SMILES notation for 4-(2-chloroprop-2-enylamino)-2,3-difluorobenzonitrile?
The canonical SMILES for 4-(2-chloroprop-2-enylamino)-2,3-difluorobenzonitrile is C=C(Cl)CNc1ccc(C#N)c(F)c1F.
What is the InChIKey of 4-(2-chloroprop-2-enylamino)-2,3-difluorobenzonitrile?
The InChIKey is RFIXKRHSNFOBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2/c1-6(11)5-15-8-3-2-7(4-14)9(12)10(8)13/h2-3,15H,1,5H2.
What are the key properties of 4-(2-chloroprop-2-enylamino)-2,3-difluorobenzonitrile?
4-(2-chloroprop-2-enylamino)-2,3-difluorobenzonitrile has a molecular weight of 228.63 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroprop-2-enylamino)-2,3-difluorobenzonitrile is sourced from PubChem (CID 107934150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).