N-ethyl-2-(3,3,3-trifluoropropylamino)acetamide

C7H13F3N2O — CID 60695542

IUPACN-ethyl-2-(3,3,3-trifluoropropylamino)acetamide
SMILESCCNC(=O)CNCCC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-2-12-6(13)5-11-4-3-7(8,9)10/h11H,2-5H2,1H3,(H,12,13)
InChIKeyPSJRTJZVGKFQPO-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.66
Rot. Bonds5

About N-ethyl-2-(3,3,3-trifluoropropylamino)acetamide

N-ethyl-2-(3,3,3-trifluoropropylamino)acetamide (PubChem CID 60695542) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is N-ethyl-2-(3,3,3-trifluoropropylamino)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3,3,3-trifluoropropylamino)acetamide
PubChem CID60695542
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC NameN-ethyl-2-(3,3,3-trifluoropropylamino)acetamide
SMILESCCNC(=O)CNCCC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-2-12-6(13)5-11-4-3-7(8,9)10/h11H,2-5H2,1H3,(H,12,13)
InChIKeyPSJRTJZVGKFQPO-UHFFFAOYSA-N
XLogP0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(5,5,5-trifluoropentylamino)acetamide
CID 115519146
N-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
CID 116615399
N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595910
N-ethyl-2-(pentylamino)acetamide
CID 28569032
N,N-diethyl-2-(3,3,3-trifluoropropylamino)acetamide
CID 63226531
N-ethyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide
CID 109471873
3-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43553568
N-ethyl-2-(2-methoxyethylamino)acetamide
CID 28565523
N-ethyl-2-(2-propoxyethylamino)acetamide
CID 106451657
N,N'-diethylpropanediamide
CID 4600245
2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 114110989
2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide
CID 63226957

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3,3,3-trifluoropropylamino)acetamide?
The IUPAC name of N-ethyl-2-(3,3,3-trifluoropropylamino)acetamide (CID 60695542) is N-ethyl-2-(3,3,3-trifluoropropylamino)acetamide.
What is the SMILES notation for N-ethyl-2-(3,3,3-trifluoropropylamino)acetamide?
The canonical SMILES for N-ethyl-2-(3,3,3-trifluoropropylamino)acetamide is CCNC(=O)CNCCC(F)(F)F.
What is the InChIKey of N-ethyl-2-(3,3,3-trifluoropropylamino)acetamide?
The InChIKey is PSJRTJZVGKFQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-2-12-6(13)5-11-4-3-7(8,9)10/h11H,2-5H2,1H3,(H,12,13).
What are the key properties of N-ethyl-2-(3,3,3-trifluoropropylamino)acetamide?
N-ethyl-2-(3,3,3-trifluoropropylamino)acetamide has a molecular weight of 198.19 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3,3,3-trifluoropropylamino)acetamide is sourced from PubChem (CID 60695542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).