N-(1-cyanocycloheptyl)-3,3,3-trifluoropropanamide

C11H15F3N2O — CID 54904451

IUPACN-(1-cyanocycloheptyl)-3,3,3-trifluoropropanamide
SMILESN#CC1(NC(=O)CC(F)(F)F)CCCCCC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)7-9(17)16-10(8-15)5-3-1-2-4-6-10/h1-7H2,(H,16,17)
InChIKeyVKTGYABNIXFGHO-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.67
Rot. Bonds2

About N-(1-cyanocycloheptyl)-3,3,3-trifluoropropanamide

N-(1-cyanocycloheptyl)-3,3,3-trifluoropropanamide (PubChem CID 54904451) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-3,3,3-trifluoropropanamide
PubChem CID54904451
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC NameN-(1-cyanocycloheptyl)-3,3,3-trifluoropropanamide
SMILESN#CC1(NC(=O)CC(F)(F)F)CCCCCC1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)7-9(17)16-10(8-15)5-3-1-2-4-6-10/h1-7H2,(H,16,17)
InChIKeyVKTGYABNIXFGHO-UHFFFAOYSA-N
XLogP2.67
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[1-(difluoromethyl)cyclohexyl]acetamide
CID 126793329
N-(1-cyanocycloheptyl)acetamide
CID 24052301
N-(1-cyanocyclooctyl)-3,3,3-trifluoropropanamide
CID 54904748
N-(1-cyanocycloheptyl)-2,2,2-trifluoroacetamide
CID 55138929
N-(1-cyanocyclopentyl)-3,3,3-trifluoropropanamide
CID 60731314
N-(1-cyanocyclohexyl)-3,3,3-trifluoropropanamide
CID 60731336
N-(1-cyanocyclopentyl)-2,2,2-trifluoroacetamide
CID 61119522
N-(1-cyanocyclohexyl)-2,2,2-trifluoroacetamide
CID 61121115
N-(1-cyanocyclooctyl)-2,2,2-trifluoroacetamide
CID 61124159
N-(1-cyanocyclopentyl)-4,4,4-trifluorobutanamide
CID 65711552
N-(1-cyanocyclohexyl)-4,4,4-trifluorobutanamide
CID 65711553
N-(1-cyanocycloheptyl)-4,4,4-trifluorobutanamide
CID 65711751

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(1-cyanocycloheptyl)-3,3,3-trifluoropropanamide (CID 54904451) is N-(1-cyanocycloheptyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-3,3,3-trifluoropropanamide is N#CC1(NC(=O)CC(F)(F)F)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-3,3,3-trifluoropropanamide?
The InChIKey is VKTGYABNIXFGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)7-9(17)16-10(8-15)5-3-1-2-4-6-10/h1-7H2,(H,16,17).
What are the key properties of N-(1-cyanocycloheptyl)-3,3,3-trifluoropropanamide?
N-(1-cyanocycloheptyl)-3,3,3-trifluoropropanamide has a molecular weight of 248.25 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 54904451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).