2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C9H15F3N2O2 — CID 115454888

IUPAC2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC1(CO)CC1)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-14-7(16)3-13-4-8(6-15)1-2-8/h13,15H,1-6H2,(H,14,16)
InChIKeyJMPYXHFPKQMKON-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.03
Rot. Bonds6

About 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 115454888) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID115454888
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC1(CO)CC1)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-14-7(16)3-13-4-8(6-15)1-2-8/h13,15H,1-6H2,(H,14,16)
InChIKeyJMPYXHFPKQMKON-UHFFFAOYSA-N
XLogP0.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 112699710
1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312278
2-[[1-(hydroxymethyl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55082339
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide
CID 115359705
3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoic acid
CID 43466550
N-[(1-cyclopropylcyclopropyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103839402
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103801700
2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 106841650
2-[1-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65442677
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(2-methoxyethyl)acetamide
CID 113293821
1-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxamide
CID 119297008
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55087126

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 115454888) is 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCC1(CO)CC1)NCC(F)(F)F.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JMPYXHFPKQMKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)5-14-7(16)3-13-4-8(6-15)1-2-8/h13,15H,1-6H2,(H,14,16).
What are the key properties of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 240.22 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 115454888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).