N-[(1R,2S)-1-acetyl-2-(2,2-difluoroethyl)cyclopropyl]-2-methylpropanamide

C11H17F2NO2 — CID 167195751

IUPACN-[(1R,2S)-1-acetyl-2-(2,2-difluoroethyl)cyclopropyl]-2-methylpropanamide
SMILESCC(=O)[C@@]1(NC(=O)C(C)C)C[C@H]1CC(F)F
InChIInChI=1S/C11H17F2NO2/c1-6(2)10(16)14-11(7(3)15)5-8(11)4-9(12)13/h6,8-9H,4-5H2,1-3H3,(H,14,16)/t8-,11+/m1/s1
InChIKeyJPRKIGULNMLXTE-KCJUWKMLSA-N
MW233.26 g/mol
LogP1.76
Rot. Bonds5

About N-[(1R,2S)-1-acetyl-2-(2,2-difluoroethyl)cyclopropyl]-2-methylpropanamide

N-[(1R,2S)-1-acetyl-2-(2,2-difluoroethyl)cyclopropyl]-2-methylpropanamide (PubChem CID 167195751) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is N-[(1R,2S)-1-acetyl-2-(2,2-difluoroethyl)cyclopropyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-acetyl-2-(2,2-difluoroethyl)cyclopropyl]-2-methylpropanamide
PubChem CID167195751
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC NameN-[(1R,2S)-1-acetyl-2-(2,2-difluoroethyl)cyclopropyl]-2-methylpropanamide
SMILESCC(=O)[C@@]1(NC(=O)C(C)C)C[C@H]1CC(F)F
InChIInChI=1S/C11H17F2NO2/c1-6(2)10(16)14-11(7(3)15)5-8(11)4-9(12)13/h6,8-9H,4-5H2,1-3H3,(H,14,16)/t8-,11+/m1/s1
InChIKeyJPRKIGULNMLXTE-KCJUWKMLSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-acetyl-2-propylcyclopropyl]acetamide
CID 89087951
(2S)-N-[(2S)-1-acetyl-2-propan-2-ylcyclopropyl]-2-methyl-4-methylidenephosphanylbutanamide
CID 163891362
2-methyl-N-[(1R)-1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclopropyl]propanamide
CID 58763528
2-[[2-[[(2S)-2-[[1-(2-methylpropanoylamino)-2-(methylsulfanylmethyl)cyclopropanecarbonyl]amino]but-3-ynoyl]amino]acetyl]amino]acetic acid
CID 155741149
N-[(2R)-1-acetyl-2-methylcyclopropyl]acetamide
CID 143744019
N-[(2S)-3-ethyl-2-methyl-1-bicyclo[1.1.1]pentanyl]-2-methylpropanamide
CID 130443978
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide
CID 63753681
1-[2-(methylamino)-4-(2-methylpropyl)-2-bicyclo[3.1.0]hexanyl]ethanone
CID 166754880
N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-methylpropanamide
CID 166170306
2-methyl-N-(spiro[2.5]octan-2-ylmethyl)propanamide
CID 162496164
trans-(1R,2S)-1-[(3-cyclopropyl-2-methylpropanoyl)amino]-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 166316549
N-ethoxy-2-methylpropanamide
CID 60717901

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-acetyl-2-(2,2-difluoroethyl)cyclopropyl]-2-methylpropanamide?
The IUPAC name of N-[(1R,2S)-1-acetyl-2-(2,2-difluoroethyl)cyclopropyl]-2-methylpropanamide (CID 167195751) is N-[(1R,2S)-1-acetyl-2-(2,2-difluoroethyl)cyclopropyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1R,2S)-1-acetyl-2-(2,2-difluoroethyl)cyclopropyl]-2-methylpropanamide?
The canonical SMILES for N-[(1R,2S)-1-acetyl-2-(2,2-difluoroethyl)cyclopropyl]-2-methylpropanamide is CC(=O)[C@@]1(NC(=O)C(C)C)C[C@H]1CC(F)F.
What is the InChIKey of N-[(1R,2S)-1-acetyl-2-(2,2-difluoroethyl)cyclopropyl]-2-methylpropanamide?
The InChIKey is JPRKIGULNMLXTE-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-6(2)10(16)14-11(7(3)15)5-8(11)4-9(12)13/h6,8-9H,4-5H2,1-3H3,(H,14,16)/t8-,11+/m1/s1.
What are the key properties of N-[(1R,2S)-1-acetyl-2-(2,2-difluoroethyl)cyclopropyl]-2-methylpropanamide?
N-[(1R,2S)-1-acetyl-2-(2,2-difluoroethyl)cyclopropyl]-2-methylpropanamide has a molecular weight of 233.26 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-acetyl-2-(2,2-difluoroethyl)cyclopropyl]-2-methylpropanamide is sourced from PubChem (CID 167195751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).