1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile

C11H14F2N2O — CID 116991513

IUPAC1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCCC(F)(F)C2)CCC1
InChIInChI=1S/C11H14F2N2O/c12-11(13)5-2-6-15(8-11)9(16)10(7-14)3-1-4-10/h1-6,8H2
InChIKeyMYPXEKADHJTPDR-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.94
Rot. Bonds1

About 1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile

1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile (PubChem CID 116991513) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile
PubChem CID116991513
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCCC(F)(F)C2)CCC1
InChIInChI=1S/C11H14F2N2O/c12-11(13)5-2-6-15(8-11)9(16)10(7-14)3-1-4-10/h1-6,8H2
InChIKeyMYPXEKADHJTPDR-UHFFFAOYSA-N
XLogP1.94
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 51073773
1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile
CID 71683394
1-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 131208967
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294
(3,3-difluoropiperidin-1-yl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116991510
1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile
CID 102737709
1-(2,2-dimethylmorpholine-4-carbonyl)cyclohexane-1-carbonitrile
CID 61461376
ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 144937315
1-(3,3-difluoropiperidin-1-yl)propan-1-one
CID 89382158
3,3-difluoropiperidine-1-carbohydrazide
CID 116991543
(3,3-difluoropiperidin-1-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116991523
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)cyclobutane-1-carbonitrile
CID 78994544

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile (CID 116991513) is 1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile is N#CC1(C(=O)N2CCCC(F)(F)C2)CCC1.
What is the InChIKey of 1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile?
The InChIKey is MYPXEKADHJTPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-11(13)5-2-6-15(8-11)9(16)10(7-14)3-1-4-10/h1-6,8H2.
What are the key properties of 1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile?
1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile has a molecular weight of 228.24 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 116991513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).