4-(dipropylamino)-2-fluorobenzonitrile

C13H17FN2 — CID 115366969

IUPAC4-(dipropylamino)-2-fluorobenzonitrile
SMILESCCCN(CCC)c1ccc(C#N)c(F)c1
InChIInChI=1S/C13H17FN2/c1-3-7-16(8-4-2)12-6-5-11(10-15)13(14)9-12/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyXSZGWYMQMHSBJY-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.32
Rot. Bonds5

About 4-(dipropylamino)-2-fluorobenzonitrile

4-(dipropylamino)-2-fluorobenzonitrile (PubChem CID 115366969) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 4-(dipropylamino)-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(dipropylamino)-2-fluorobenzonitrile
PubChem CID115366969
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name4-(dipropylamino)-2-fluorobenzonitrile
SMILESCCCN(CCC)c1ccc(C#N)c(F)c1
InChIInChI=1S/C13H17FN2/c1-3-7-16(8-4-2)12-6-5-11(10-15)13(14)9-12/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyXSZGWYMQMHSBJY-UHFFFAOYSA-N
XLogP3.32
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[bis(2-ethoxyethyl)amino]-2-fluorobenzonitrile
CID 82966288
2-[(4-chloro-N-propylanilino)methyl]-4-fluorobenzonitrile
CID 135144505
2-fluoro-4-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile
CID 104551917
2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile
CID 113295659
2-(N-(2-amino-2-oxoethyl)-4-cyano-3-fluoroanilino)acetamide
CID 115367475
4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile
CID 115367385
2-fluoro-4-[1-methoxypropan-2-yl(methyl)amino]benzonitrile
CID 115367259
2-fluoro-4-[methyl(2-phenylethyl)amino]benzonitrile
CID 115367607
2-[N-amino-2-cyano-4-(dipropylamino)anilino]-5-(dimethylamino)benzonitrile
CID 175629483
2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide
CID 115367320
4-(dibutylamino)-2-(trifluoromethyl)benzonitrile
CID 11392366
ethyl 2-[4-cyano-3-fluoro-N-(2-methoxyethyl)anilino]acetate
CID 115367316

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)-2-fluorobenzonitrile?
The IUPAC name of 4-(dipropylamino)-2-fluorobenzonitrile (CID 115366969) is 4-(dipropylamino)-2-fluorobenzonitrile.
What is the SMILES notation for 4-(dipropylamino)-2-fluorobenzonitrile?
The canonical SMILES for 4-(dipropylamino)-2-fluorobenzonitrile is CCCN(CCC)c1ccc(C#N)c(F)c1.
What is the InChIKey of 4-(dipropylamino)-2-fluorobenzonitrile?
The InChIKey is XSZGWYMQMHSBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-3-7-16(8-4-2)12-6-5-11(10-15)13(14)9-12/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 4-(dipropylamino)-2-fluorobenzonitrile?
4-(dipropylamino)-2-fluorobenzonitrile has a molecular weight of 220.29 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-2-fluorobenzonitrile is sourced from PubChem (CID 115366969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).