N-(1-cyanocycloheptyl)-2,2,2-trifluoroacetamide

C10H13F3N2O — CID 55138929

IUPACN-(1-cyanocycloheptyl)-2,2,2-trifluoroacetamide
SMILESN#CC1(NC(=O)C(F)(F)F)CCCCCC1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)8(16)15-9(7-14)5-3-1-2-4-6-9/h1-6H2,(H,15,16)
InChIKeyPPNKSFJKOVDCSO-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.28
Rot. Bonds1

About N-(1-cyanocycloheptyl)-2,2,2-trifluoroacetamide

N-(1-cyanocycloheptyl)-2,2,2-trifluoroacetamide (PubChem CID 55138929) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2,2,2-trifluoroacetamide
PubChem CID55138929
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC NameN-(1-cyanocycloheptyl)-2,2,2-trifluoroacetamide
SMILESN#CC1(NC(=O)C(F)(F)F)CCCCCC1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)8(16)15-9(7-14)5-3-1-2-4-6-9/h1-6H2,(H,15,16)
InChIKeyPPNKSFJKOVDCSO-UHFFFAOYSA-N
XLogP2.28
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.28
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-cyanocycloheptyl)-3,3,3-trifluoropropanamide
CID 54904451
N-(1-cyanocyclooctyl)-3,3,3-trifluoropropanamide
CID 54904748
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-cyano-4-ethylcyclohexyl)-2,2,2-trifluoroacetamide
CID 61121212
N-(1-cyanocyclooctyl)-2,2,2-trifluoroacetamide
CID 61124159
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)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2,2,2-trifluoroacetamide (CID 55138929) is N-(1-cyanocycloheptyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2,2,2-trifluoroacetamide is N#CC1(NC(=O)C(F)(F)F)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-2,2,2-trifluoroacetamide?
The InChIKey is PPNKSFJKOVDCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)8(16)15-9(7-14)5-3-1-2-4-6-9/h1-6H2,(H,15,16).
What are the key properties of N-(1-cyanocycloheptyl)-2,2,2-trifluoroacetamide?
N-(1-cyanocycloheptyl)-2,2,2-trifluoroacetamide has a molecular weight of 234.22 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 55138929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).