4-(dibutylamino)-3,5-difluorobenzonitrile

C15H20F2N2 — CID 81282963

IUPAC4-(dibutylamino)-3,5-difluorobenzonitrile
SMILESCCCCN(CCCC)c1c(F)cc(C#N)cc1F
InChIInChI=1S/C15H20F2N2/c1-3-5-7-19(8-6-4-2)15-13(16)9-12(11-18)10-14(15)17/h9-10H,3-8H2,1-2H3
InChIKeyYNGAZHLCUJRVJR-UHFFFAOYSA-N
MW266.33 g/mol
LogP4.24
Rot. Bonds7

About 4-(dibutylamino)-3,5-difluorobenzonitrile

4-(dibutylamino)-3,5-difluorobenzonitrile (PubChem CID 81282963) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-(dibutylamino)-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-(dibutylamino)-3,5-difluorobenzonitrile
PubChem CID81282963
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC Name4-(dibutylamino)-3,5-difluorobenzonitrile
SMILESCCCCN(CCCC)c1c(F)cc(C#N)cc1F
InChIInChI=1S/C15H20F2N2/c1-3-5-7-19(8-6-4-2)15-13(16)9-12(11-18)10-14(15)17/h9-10H,3-8H2,1-2H3
InChIKeyYNGAZHLCUJRVJR-UHFFFAOYSA-N
XLogP4.24
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dibutylamino)-3,5,6-trifluorobenzene-1,2-dicarbonitrile
CID 139814154
4-[2-aminoethyl(methyl)amino]-3,5-difluorobenzonitrile
CID 81294307
3,5-difluoro-4-[propyl(pyrrolidin-2-ylmethyl)amino]benzonitrile
CID 106619820
4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline
CID 63787284
3,5-difluoro-4-pentylsulfanylbenzonitrile
CID 107749305
2-[butyl(ethyl)amino]pyridine-4-carbonitrile
CID 24696203
4-(4-cyano-2,6-difluoro-N-methylanilino)butanoic acid
CID 81293903
4-(dibutylamino)pyridine-2-carbonitrile
CID 62924779
4-[ethyl-[(3-methylimidazol-4-yl)methyl]amino]-3,5-difluorobenzonitrile
CID 173009048
3-bromo-5-[butyl(2-hydroxyethyl)amino]benzonitrile
CID 102815625
3-fluoro-4-nonoxybenzonitrile
CID 107670423
3-fluoro-4-methyl-5-(pentylamino)benzonitrile
CID 43728241

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylamino)-3,5-difluorobenzonitrile?
The IUPAC name of 4-(dibutylamino)-3,5-difluorobenzonitrile (CID 81282963) is 4-(dibutylamino)-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-(dibutylamino)-3,5-difluorobenzonitrile?
The canonical SMILES for 4-(dibutylamino)-3,5-difluorobenzonitrile is CCCCN(CCCC)c1c(F)cc(C#N)cc1F.
What is the InChIKey of 4-(dibutylamino)-3,5-difluorobenzonitrile?
The InChIKey is YNGAZHLCUJRVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2/c1-3-5-7-19(8-6-4-2)15-13(16)9-12(11-18)10-14(15)17/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-(dibutylamino)-3,5-difluorobenzonitrile?
4-(dibutylamino)-3,5-difluorobenzonitrile has a molecular weight of 266.33 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylamino)-3,5-difluorobenzonitrile is sourced from PubChem (CID 81282963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).