2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide

C9H14F3NO — CID 106216855

IUPAC2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCC(C)(C)C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO/c1-7(2,3)6(14)13-8(4-5-8)9(10,11)12/h4-5H2,1-3H3,(H,13,14)
InChIKeyBXTAYTCWXILGBG-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.24
Rot. Bonds1

About 2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide

2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide (PubChem CID 106216855) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
PubChem CID106216855
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCC(C)(C)C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO/c1-7(2,3)6(14)13-8(4-5-8)9(10,11)12/h4-5H2,1-3H3,(H,13,14)
InChIKeyBXTAYTCWXILGBG-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106213284
3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
CID 176873148
2-methyl-3-oxo-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanoic acid
CID 106216719
N-(1-cyanocyclopropyl)-2,2-dimethylpropanamide
CID 90305562
2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 106213402
2-methyl-2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]butanoic acid
CID 114159452
3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106213177
1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea
CID 106211177
3-amino-5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide
CID 106213349
N-(1-cyclopropylcyclopropyl)-2,2-dimethylpropanamide
CID 164853878
2-cyano-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
CID 106213496
1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 106216317

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide (CID 106216855) is 2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide is CC(C)(C)C(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
The InChIKey is BXTAYTCWXILGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-7(2,3)6(14)13-8(4-5-8)9(10,11)12/h4-5H2,1-3H3,(H,13,14).
What are the key properties of 2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide has a molecular weight of 209.21 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide is sourced from PubChem (CID 106216855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).