2-(1-cyclopropylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

C11H19F3N2O — CID 63996727

IUPAC2-(1-cyclopropylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC1CC1)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-2-9(5-8-3-4-8)15-6-10(17)16-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeySHGYYBQCNMVBPF-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.83
Rot. Bonds7

About 2-(1-cyclopropylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(1-cyclopropylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63996727) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(1-cyclopropylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63996727
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-(1-cyclopropylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC1CC1)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-2-9(5-8-3-4-8)15-6-10(17)16-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeySHGYYBQCNMVBPF-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(cyanomethyl)-4-methyl-2-{[(2S)-1,1,1-trifluorohexan-2-yl]amino}pentanamide
CID 23648298
(2S)-N-(cyanomethyl)-4-methyl-2-[(2,2,2-trifluoroethyl)amino]pentanamide
CID 23648297
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 51077908
N-(1,5-Dimethylhexyl)trifluoroacetamide
CID 11564832
N-propyl-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 45798041
(2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237697
N-butan-2-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 121515902
2,2,2-trifluoro-N-[2-(2-methylheptan-2-ylamino)-2-oxoethyl]acetamide
CID 23454158
(2S)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide
CID 63226851
N-(1-cyclopropylbutan-2-yl)-2,2,2-trifluoroacetamide
CID 64087685
N-[(2S)-2-amino-3-cyclopropylpropyl]-2,2,2-trifluoroacetamide
CID 88941910
N-[(2S)-1-cyclopropyl-3-methyl-1-nitrosobutan-2-yl]-2,2,2-trifluoroacetamide
CID 91005304

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1-cyclopropylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 63996727) is 2-(1-cyclopropylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1-cyclopropylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1-cyclopropylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is CCC(CC1CC1)NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(1-cyclopropylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is SHGYYBQCNMVBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-2-9(5-8-3-4-8)15-6-10(17)16-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-(1-cyclopropylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1-cyclopropylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 252.28 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63996727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).