2,3-difluoro-6-piperidin-4-ylbenzonitrile

C12H12F2N2 — CID 177334116

IUPAC2,3-difluoro-6-piperidin-4-ylbenzonitrile
SMILESN#Cc1c(C2CCNCC2)ccc(F)c1F
InChIInChI=1S/C12H12F2N2/c13-11-2-1-9(10(7-15)12(11)14)8-3-5-16-6-4-8/h1-2,8,16H,3-6H2
InChIKeyYIGVMRKYVALEDL-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.30
Rot. Bonds1

About 2,3-difluoro-6-piperidin-4-ylbenzonitrile

2,3-difluoro-6-piperidin-4-ylbenzonitrile (PubChem CID 177334116) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2,3-difluoro-6-piperidin-4-ylbenzonitrile.

Molecular Properties

Compound Name2,3-difluoro-6-piperidin-4-ylbenzonitrile
PubChem CID177334116
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2,3-difluoro-6-piperidin-4-ylbenzonitrile
SMILESN#Cc1c(C2CCNCC2)ccc(F)c1F
InChIInChI=1S/C12H12F2N2/c13-11-2-1-9(10(7-15)12(11)14)8-3-5-16-6-4-8/h1-2,8,16H,3-6H2
InChIKeyYIGVMRKYVALEDL-UHFFFAOYSA-N
XLogP2.30
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine
CID 118483533
2,6-difluoro-3-piperidin-4-ylaniline
CID 165455594
2-ethynyl-3-piperidin-4-ylbenzonitrile
CID 89444983
4-(2,3-difluorophenyl)azepane
CID 83262443
4-[2-(difluoromethoxy)-3,4-difluorophenyl]piperidine;hydrochloride
CID 177334106
2-fluoro-5-piperidin-4-ylbenzonitrile
CID 16679511
2-cyclopropyl-6-piperazin-1-ylbenzonitrile
CID 176886645
4-(2-fluorophenyl)piperidine;molecular hydrogen
CID 156796206
2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile
CID 126695840
4-(3-fluoro-2-methylsulfanylphenyl)piperidine
CID 117324169
4-methyl-3-piperidin-4-ylbenzonitrile
CID 83392495
4-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]piperidine;hydrochloride
CID 134691211

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-piperidin-4-ylbenzonitrile?
The IUPAC name of 2,3-difluoro-6-piperidin-4-ylbenzonitrile (CID 177334116) is 2,3-difluoro-6-piperidin-4-ylbenzonitrile.
What is the SMILES notation for 2,3-difluoro-6-piperidin-4-ylbenzonitrile?
The canonical SMILES for 2,3-difluoro-6-piperidin-4-ylbenzonitrile is N#Cc1c(C2CCNCC2)ccc(F)c1F.
What is the InChIKey of 2,3-difluoro-6-piperidin-4-ylbenzonitrile?
The InChIKey is YIGVMRKYVALEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2/c13-11-2-1-9(10(7-15)12(11)14)8-3-5-16-6-4-8/h1-2,8,16H,3-6H2.
What are the key properties of 2,3-difluoro-6-piperidin-4-ylbenzonitrile?
2,3-difluoro-6-piperidin-4-ylbenzonitrile has a molecular weight of 222.24 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-piperidin-4-ylbenzonitrile is sourced from PubChem (CID 177334116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).