N-(3-cyanocyclobutyl)-2,2,2-trifluoroacetamide

C7H7F3N2O — CID 166666239

IUPACN-(3-cyanocyclobutyl)-2,2,2-trifluoroacetamide
SMILESN#CC1CC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6(13)12-5-1-4(2-5)3-11/h4-5H,1-2H2,(H,12,13)
InChIKeyOIEDUXODDRTOCR-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.97
Rot. Bonds1

About N-(3-cyanocyclobutyl)-2,2,2-trifluoroacetamide

N-(3-cyanocyclobutyl)-2,2,2-trifluoroacetamide (PubChem CID 166666239) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is N-(3-cyanocyclobutyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-cyanocyclobutyl)-2,2,2-trifluoroacetamide
PubChem CID166666239
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC NameN-(3-cyanocyclobutyl)-2,2,2-trifluoroacetamide
SMILESN#CC1CC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6(13)12-5-1-4(2-5)3-11/h4-5H,1-2H2,(H,12,13)
InChIKeyOIEDUXODDRTOCR-UHFFFAOYSA-N
XLogP0.97
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyanocyclobutyl)propanamide
CID 156794436
cyclopropanecarbonitrile;2,2,2-trifluoroacetic acid
CID 172679647
N-[1-(2-cyanoethyl)piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 23551843
N-[(4S,6S)-2-chloro-6-methyloxan-4-yl]-2,2,2-trifluoroacetamide
CID 13002967
N-[(3aS,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]-2,2,2-trifluoroacetamide
CID 125180957
4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
CID 14788218
sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 161088064
2-cyano-N-(3-methoxycyclobutyl)-2-methylpropanamide
CID 104578369
4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
CID 88546058
2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 108548655
2,2,2-trifluoro-N-(6-hydroxycyclooct-4-en-1-yl)acetamide
CID 123997637
(1S,2R,4R)-4-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
CID 167721081

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanocyclobutyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-cyanocyclobutyl)-2,2,2-trifluoroacetamide (CID 166666239) is N-(3-cyanocyclobutyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-cyanocyclobutyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-cyanocyclobutyl)-2,2,2-trifluoroacetamide is N#CC1CC(NC(=O)C(F)(F)F)C1.
What is the InChIKey of N-(3-cyanocyclobutyl)-2,2,2-trifluoroacetamide?
The InChIKey is OIEDUXODDRTOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)6(13)12-5-1-4(2-5)3-11/h4-5H,1-2H2,(H,12,13).
What are the key properties of N-(3-cyanocyclobutyl)-2,2,2-trifluoroacetamide?
N-(3-cyanocyclobutyl)-2,2,2-trifluoroacetamide has a molecular weight of 192.14 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanocyclobutyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 166666239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).