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

C7H13F3N2O — CID 19419438

IUPACN-(1-aminopentyl)-2,2,2-trifluoroacetamide
SMILESCCCCC(N)NC(=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-2-3-4-5(11)12-6(13)7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13)
InChIKeyHGYQWTGIJKLJEE-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.14
Rot. Bonds4

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

N-(1-aminopentyl)-2,2,2-trifluoroacetamide (PubChem CID 19419438) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is N-(1-aminopentyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-aminopentyl)-2,2,2-trifluoroacetamide
PubChem CID19419438
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC NameN-(1-aminopentyl)-2,2,2-trifluoroacetamide
SMILESCCCCC(N)NC(=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-2-3-4-5(11)12-6(13)7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13)
InChIKeyHGYQWTGIJKLJEE-UHFFFAOYSA-N
XLogP1.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-aminopentyl)-2,2,2-trifluoroacetamide (CID 19419438) is N-(1-aminopentyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-aminopentyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-aminopentyl)-2,2,2-trifluoroacetamide is CCCCC(N)NC(=O)C(F)(F)F.
What is the InChIKey of N-(1-aminopentyl)-2,2,2-trifluoroacetamide?
The InChIKey is HGYQWTGIJKLJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-2-3-4-5(11)12-6(13)7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13).
What are the key properties of N-(1-aminopentyl)-2,2,2-trifluoroacetamide?
N-(1-aminopentyl)-2,2,2-trifluoroacetamide has a molecular weight of 198.19 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 19419438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).