3-(3,5-difluoroanilino)butanenitrile

C10H10F2N2 — CID 60913129

IUPAC3-(3,5-difluoroanilino)butanenitrile
SMILESCC(CC#N)Nc1cc(F)cc(F)c1
InChIInChI=1S/C10H10F2N2/c1-7(2-3-13)14-10-5-8(11)4-9(12)6-10/h4-7,14H,2H2,1H3
InChIKeyUSXJWKXUYBJPBR-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.68
Rot. Bonds3

About 3-(3,5-difluoroanilino)butanenitrile

3-(3,5-difluoroanilino)butanenitrile (PubChem CID 60913129) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 3-(3,5-difluoroanilino)butanenitrile.

Molecular Properties

Compound Name3-(3,5-difluoroanilino)butanenitrile
PubChem CID60913129
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name3-(3,5-difluoroanilino)butanenitrile
SMILESCC(CC#N)Nc1cc(F)cc(F)c1
InChIInChI=1S/C10H10F2N2/c1-7(2-3-13)14-10-5-8(11)4-9(12)6-10/h4-7,14H,2H2,1H3
InChIKeyUSXJWKXUYBJPBR-UHFFFAOYSA-N
XLogP2.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3,5-difluoroaniline
CID 43196032
3-(2,3,5-trifluoroanilino)butanenitrile
CID 62811152
3-(3-chloro-4-fluoroanilino)butanenitrile
CID 78956352
3-(4-chloro-3-fluoroanilino)butanenitrile
CID 61467128
3-(3,5-difluoroanilino)-3-phenylpropanenitrile
CID 62778864
3-(5-fluoro-2-methylanilino)butanenitrile
CID 60912790
3-(3-chloro-4-methylanilino)butanenitrile
CID 60913639
N-[3-(1-cyanopropan-2-ylamino)phenyl]acetamide
CID 60914306
3-(2,4,6-tribromoanilino)butanenitrile
CID 60913132
3-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]butanenitrile
CID 104586887
4-[3-(3,5-difluoroanilino)butyl]phenol
CID 43196014
3-bromo-N-(1-cyanopropan-2-yl)-5-fluorobenzamide
CID 62091701

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoroanilino)butanenitrile?
The IUPAC name of 3-(3,5-difluoroanilino)butanenitrile (CID 60913129) is 3-(3,5-difluoroanilino)butanenitrile.
What is the SMILES notation for 3-(3,5-difluoroanilino)butanenitrile?
The canonical SMILES for 3-(3,5-difluoroanilino)butanenitrile is CC(CC#N)Nc1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluoroanilino)butanenitrile?
The InChIKey is USXJWKXUYBJPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2/c1-7(2-3-13)14-10-5-8(11)4-9(12)6-10/h4-7,14H,2H2,1H3.
What are the key properties of 3-(3,5-difluoroanilino)butanenitrile?
3-(3,5-difluoroanilino)butanenitrile has a molecular weight of 196.20 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoroanilino)butanenitrile is sourced from PubChem (CID 60913129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).