N-(5-cyanopentyl)-2,2,2-trifluoroacetamide

C8H11F3N2O — CID 130012441

IUPACN-(5-cyanopentyl)-2,2,2-trifluoroacetamide
SMILESN#CCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)7(14)13-6-4-2-1-3-5-12/h1-4,6H2,(H,13,14)
InChIKeyAJQGEYFNADJMQD-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.75
Rot. Bonds5

About N-(5-cyanopentyl)-2,2,2-trifluoroacetamide

N-(5-cyanopentyl)-2,2,2-trifluoroacetamide (PubChem CID 130012441) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is N-(5-cyanopentyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-cyanopentyl)-2,2,2-trifluoroacetamide
PubChem CID130012441
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC NameN-(5-cyanopentyl)-2,2,2-trifluoroacetamide
SMILESN#CCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)7(14)13-6-4-2-1-3-5-12/h1-4,6H2,(H,13,14)
InChIKeyAJQGEYFNADJMQD-UHFFFAOYSA-N
XLogP1.75
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-cyanopentylcarbamic acid;hydrochloride
CID 88781011
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2,2,2-trifluoro-N-(7-methyloctyl)acetamide
CID 62491646
2,2,2-trifluoro-N-(3-formamidopropyl)acetamide
CID 110461270
1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide
CID 11783188
tert-butyl N-(4-cyanobutyl)carbamate
CID 45091902
2,2,2-trifluoro-N-[5-[(5,5,5-trifluoro-4-oxopentyl)amino]pentyl]acetamide
CID 123568887
2-bromo-N-(4-cyanobutyl)propanamide
CID 107905319
2,2,2-trifluoro-N-[3-[(15,15,15-trifluoro-14-oxopentadecyl)amino]propyl]acetamide
CID 58152578
2,2,2-trifluoro-N-(5-methylheptyl)acetamide
CID 143979183
2,2,2-trifluoro-N-[7-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-11-(undecylamino)undecyl]acetamide
CID 139942199

Frequently Asked Questions

What is the IUPAC name of N-(5-cyanopentyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-cyanopentyl)-2,2,2-trifluoroacetamide (CID 130012441) is N-(5-cyanopentyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-cyanopentyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-cyanopentyl)-2,2,2-trifluoroacetamide is N#CCCCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-(5-cyanopentyl)-2,2,2-trifluoroacetamide?
The InChIKey is AJQGEYFNADJMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c9-8(10,11)7(14)13-6-4-2-1-3-5-12/h1-4,6H2,(H,13,14).
What are the key properties of N-(5-cyanopentyl)-2,2,2-trifluoroacetamide?
N-(5-cyanopentyl)-2,2,2-trifluoroacetamide has a molecular weight of 208.18 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyanopentyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 130012441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).