N-methyl-N-(3,3,3-trifluoropropyl)cyclopropanecarboxamide

C8H12F3NO — CID 61381425

IUPACN-methyl-N-(3,3,3-trifluoropropyl)cyclopropanecarboxamide
SMILESCN(CCC(F)(F)F)C(=O)C1CC1
InChIInChI=1S/C8H12F3NO/c1-12(5-4-8(9,10)11)7(13)6-2-3-6/h6H,2-5H2,1H3
InChIKeyVIFUNZHUYHOCGU-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.81
Rot. Bonds3

About N-methyl-N-(3,3,3-trifluoropropyl)cyclopropanecarboxamide

N-methyl-N-(3,3,3-trifluoropropyl)cyclopropanecarboxamide (PubChem CID 61381425) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is N-methyl-N-(3,3,3-trifluoropropyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-(3,3,3-trifluoropropyl)cyclopropanecarboxamide
PubChem CID61381425
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC NameN-methyl-N-(3,3,3-trifluoropropyl)cyclopropanecarboxamide
SMILESCN(CCC(F)(F)F)C(=O)C1CC1
InChIInChI=1S/C8H12F3NO/c1-12(5-4-8(9,10)11)7(13)6-2-3-6/h6H,2-5H2,1H3
InChIKeyVIFUNZHUYHOCGU-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3,3,3-trifluoropropyl)cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-(3,3,3-trifluoropropyl)cyclopropanecarboxamide (CID 61381425) is N-methyl-N-(3,3,3-trifluoropropyl)cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-(3,3,3-trifluoropropyl)cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-(3,3,3-trifluoropropyl)cyclopropanecarboxamide is CN(CCC(F)(F)F)C(=O)C1CC1.
What is the InChIKey of N-methyl-N-(3,3,3-trifluoropropyl)cyclopropanecarboxamide?
The InChIKey is VIFUNZHUYHOCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-12(5-4-8(9,10)11)7(13)6-2-3-6/h6H,2-5H2,1H3.
What are the key properties of N-methyl-N-(3,3,3-trifluoropropyl)cyclopropanecarboxamide?
N-methyl-N-(3,3,3-trifluoropropyl)cyclopropanecarboxamide has a molecular weight of 195.18 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3,3,3-trifluoropropyl)cyclopropanecarboxamide is sourced from PubChem (CID 61381425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).