2-cyano-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide

C10H13F3N2O — CID 106213496

IUPAC2-cyano-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
SMILESCC(C)C(C#N)C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H13F3N2O/c1-6(2)7(5-14)8(16)15-9(3-4-9)10(11,12)13/h6-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyCOKPYFLRMFOIIV-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.99
Rot. Bonds3

About 2-cyano-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide

2-cyano-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide (PubChem CID 106213496) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-cyano-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide.

Molecular Properties

Compound Name2-cyano-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
PubChem CID106213496
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2-cyano-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
SMILESCC(C)C(C#N)C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H13F3N2O/c1-6(2)7(5-14)8(16)15-9(3-4-9)10(11,12)13/h6-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyCOKPYFLRMFOIIV-UHFFFAOYSA-N
XLogP1.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide?
The IUPAC name of 2-cyano-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide (CID 106213496) is 2-cyano-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide.
What is the SMILES notation for 2-cyano-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide?
The canonical SMILES for 2-cyano-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide is CC(C)C(C#N)C(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-cyano-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide?
The InChIKey is COKPYFLRMFOIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-6(2)7(5-14)8(16)15-9(3-4-9)10(11,12)13/h6-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-cyano-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide?
2-cyano-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide has a molecular weight of 234.22 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide is sourced from PubChem (CID 106213496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).