4-[(3,3-difluorocyclobutyl)amino]-2,6-difluorobenzonitrile

C11H8F4N2 — CID 174335947

IUPAC4-[(3,3-difluorocyclobutyl)amino]-2,6-difluorobenzonitrile
SMILESN#Cc1c(F)cc(NC2CC(F)(F)C2)cc1F
InChIInChI=1S/C11H8F4N2/c12-9-1-6(2-10(13)8(9)5-16)17-7-3-11(14,15)4-7/h1-2,7,17H,3-4H2
InChIKeyXDSJMGBGTKPNPX-UHFFFAOYSA-N
MW244.19 g/mol
LogP3.05
Rot. Bonds2

About 4-[(3,3-difluorocyclobutyl)amino]-2,6-difluorobenzonitrile

4-[(3,3-difluorocyclobutyl)amino]-2,6-difluorobenzonitrile (PubChem CID 174335947) has the molecular formula C11H8F4N2 and a molecular weight of 244.19 g/mol. Its IUPAC name is 4-[(3,3-difluorocyclobutyl)amino]-2,6-difluorobenzonitrile.

Molecular Properties

Compound Name4-[(3,3-difluorocyclobutyl)amino]-2,6-difluorobenzonitrile
PubChem CID174335947
Molecular FormulaC11H8F4N2
Molecular Weight244.19 g/mol
Exact Mass244.06
IUPAC Name4-[(3,3-difluorocyclobutyl)amino]-2,6-difluorobenzonitrile
SMILESN#Cc1c(F)cc(NC2CC(F)(F)C2)cc1F
InChIInChI=1S/C11H8F4N2/c12-9-1-6(2-10(13)8(9)5-16)17-7-3-11(14,15)4-7/h1-2,7,17H,3-4H2
InChIKeyXDSJMGBGTKPNPX-UHFFFAOYSA-N
XLogP3.05
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile
CID 163319578
3-fluoro-5-[(3,3,5,5-tetramethylcyclohexyl)amino]benzonitrile
CID 102817183
2,6-difluoro-4-iodobenzonitrile
CID 19023068
3-(4-chloro-3-fluoroanilino)-1-phenylcyclobutane-1-carbonitrile
CID 64904847
3-[(4-aminocyclohexyl)amino]-5-fluorobenzonitrile
CID 102819134
4-(2,3-dihydro-1H-inden-2-ylamino)-2-fluorobenzonitrile
CID 107853110
N-cyclohexyl-3,4,5-trifluoroaniline
CID 62810275
4-(difluoromethyl)-2,6-difluorobenzonitrile
CID 119018224
3-fluoro-5-[(5-oxopyrrolidin-3-yl)amino]benzonitrile
CID 106189059
5-[(3-aminocyclobutyl)amino]-2-fluorobenzonitrile
CID 80562506
2-fluoro-5-(spiro[4.5]decan-8-ylamino)benzonitrile
CID 114817606
N-(4-cyano-3-fluoro-5-methylphenyl)acetamide
CID 127264492

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluorocyclobutyl)amino]-2,6-difluorobenzonitrile?
The IUPAC name of 4-[(3,3-difluorocyclobutyl)amino]-2,6-difluorobenzonitrile (CID 174335947) is 4-[(3,3-difluorocyclobutyl)amino]-2,6-difluorobenzonitrile.
What is the SMILES notation for 4-[(3,3-difluorocyclobutyl)amino]-2,6-difluorobenzonitrile?
The canonical SMILES for 4-[(3,3-difluorocyclobutyl)amino]-2,6-difluorobenzonitrile is N#Cc1c(F)cc(NC2CC(F)(F)C2)cc1F.
What is the InChIKey of 4-[(3,3-difluorocyclobutyl)amino]-2,6-difluorobenzonitrile?
The InChIKey is XDSJMGBGTKPNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2/c12-9-1-6(2-10(13)8(9)5-16)17-7-3-11(14,15)4-7/h1-2,7,17H,3-4H2.
What are the key properties of 4-[(3,3-difluorocyclobutyl)amino]-2,6-difluorobenzonitrile?
4-[(3,3-difluorocyclobutyl)amino]-2,6-difluorobenzonitrile has a molecular weight of 244.19 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluorocyclobutyl)amino]-2,6-difluorobenzonitrile is sourced from PubChem (CID 174335947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).