2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide

C8H15F3N2O — CID 63226957

IUPAC2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide
SMILESCC(C)NCC(=O)NCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-6(2)13-5-7(14)12-4-3-8(9,10)11/h6,13H,3-5H2,1-2H3,(H,12,14)
InChIKeyPBUDRBVTIQAJBL-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.05
Rot. Bonds5

About 2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide

2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 63226957) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID63226957
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide
SMILESCC(C)NCC(=O)NCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-6(2)13-5-7(14)12-4-3-8(9,10)11/h6,13H,3-5H2,1-2H3,(H,12,14)
InChIKeyPBUDRBVTIQAJBL-UHFFFAOYSA-N
XLogP1.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate
CID 134417923
2-bromo-N-(3,3,3-trifluoropropyl)propanamide
CID 107905222
2-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)acetamide
CID 104761099
5-amino-N-(3,3,3-trifluoropropyl)hexanamide
CID 82851486
N-[2-(diethylamino)ethyl]-2-(propan-2-ylamino)acetamide
CID 60843052
N-ethyl-2-(3,3,3-trifluoropropylamino)acetamide
CID 60695542
N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 61240012
N-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158324
N-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide
CID 102905922
2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide
CID 174356714
N-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide
CID 171804657
N-hex-5-ynyl-2-(propan-2-ylamino)acetamide
CID 106213054

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of 2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide (CID 63226957) is 2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide is CC(C)NCC(=O)NCCC(F)(F)F.
What is the InChIKey of 2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is PBUDRBVTIQAJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-6(2)13-5-7(14)12-4-3-8(9,10)11/h6,13H,3-5H2,1-2H3,(H,12,14).
What are the key properties of 2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide?
2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 212.21 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 63226957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).