2-[1-(3,3-difluoropropyl)azetidin-2-yl]acetonitrile

C8H12F2N2 — CID 84654855

IUPAC2-[1-(3,3-difluoropropyl)azetidin-2-yl]acetonitrile
SMILESN#CCC1CCN1CCC(F)F
InChIInChI=1S/C8H12F2N2/c9-8(10)3-6-12-5-2-7(12)1-4-11/h7-8H,1-3,5-6H2
InChIKeyQPYVPQLVBXEDMW-UHFFFAOYSA-N
MW174.19 g/mol
LogP1.63
Rot. Bonds4

About 2-[1-(3,3-difluoropropyl)azetidin-2-yl]acetonitrile

2-[1-(3,3-difluoropropyl)azetidin-2-yl]acetonitrile (PubChem CID 84654855) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is 2-[1-(3,3-difluoropropyl)azetidin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(3,3-difluoropropyl)azetidin-2-yl]acetonitrile
PubChem CID84654855
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name2-[1-(3,3-difluoropropyl)azetidin-2-yl]acetonitrile
SMILESN#CCC1CCN1CCC(F)F
InChIInChI=1S/C8H12F2N2/c9-8(10)3-6-12-5-2-7(12)1-4-11/h7-8H,1-3,5-6H2
InChIKeyQPYVPQLVBXEDMW-UHFFFAOYSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile
CID 84681793
7-(cyanomethyl)-4-methyl-1,4-diazepane-1-carbonitrile
CID 164922266
1-(2,2-difluoroethyl)-2-ethylazetidine;methanethiol
CID 163270154
2-ethyl-1-(2-fluoroethyl)azetidine
CID 130677041
5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83056574
4-[2-(chloromethyl)piperidin-1-yl]butanenitrile
CID 12577372
2-(1-propylpyrrolidin-3-yl)acetonitrile
CID 66545592
2-[(2R)-1-benzhydrylazetidin-2-yl]acetonitrile
CID 94847184
2-[(2R)-1,4-ditert-butylpiperazin-2-yl]acetonitrile
CID 146652081
2-(ethylamino)-4-(2-ethylpiperidin-1-yl)butanenitrile
CID 63029460
2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile
CID 124565775
2-[(2S)-4-ethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]acetonitrile
CID 170184833

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-difluoropropyl)azetidin-2-yl]acetonitrile?
The IUPAC name of 2-[1-(3,3-difluoropropyl)azetidin-2-yl]acetonitrile (CID 84654855) is 2-[1-(3,3-difluoropropyl)azetidin-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-(3,3-difluoropropyl)azetidin-2-yl]acetonitrile?
The canonical SMILES for 2-[1-(3,3-difluoropropyl)azetidin-2-yl]acetonitrile is N#CCC1CCN1CCC(F)F.
What is the InChIKey of 2-[1-(3,3-difluoropropyl)azetidin-2-yl]acetonitrile?
The InChIKey is QPYVPQLVBXEDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2/c9-8(10)3-6-12-5-2-7(12)1-4-11/h7-8H,1-3,5-6H2.
What are the key properties of 2-[1-(3,3-difluoropropyl)azetidin-2-yl]acetonitrile?
2-[1-(3,3-difluoropropyl)azetidin-2-yl]acetonitrile has a molecular weight of 174.19 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-difluoropropyl)azetidin-2-yl]acetonitrile is sourced from PubChem (CID 84654855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).