2-[1-(trifluoromethyl)cyclopropyl]acetamide

C6H8F3NO — CID 130977814

IUPAC2-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESNC(=O)CC1(C(F)(F)F)CC1
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5(1-2-5)3-4(10)11/h1-3H2,(H2,10,11)
InChIKeyWCRPCGDMPIVNFX-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.20
Rot. Bonds2

About 2-[1-(trifluoromethyl)cyclopropyl]acetamide

2-[1-(trifluoromethyl)cyclopropyl]acetamide (PubChem CID 130977814) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 2-[1-(trifluoromethyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-[1-(trifluoromethyl)cyclopropyl]acetamide
PubChem CID130977814
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name2-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESNC(=O)CC1(C(F)(F)F)CC1
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5(1-2-5)3-4(10)11/h1-3H2,(H2,10,11)
InChIKeyWCRPCGDMPIVNFX-UHFFFAOYSA-N
XLogP1.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The IUPAC name of 2-[1-(trifluoromethyl)cyclopropyl]acetamide (CID 130977814) is 2-[1-(trifluoromethyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The canonical SMILES for 2-[1-(trifluoromethyl)cyclopropyl]acetamide is NC(=O)CC1(C(F)(F)F)CC1.
What is the InChIKey of 2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The InChIKey is WCRPCGDMPIVNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)5(1-2-5)3-4(10)11/h1-3H2,(H2,10,11).
What are the key properties of 2-[1-(trifluoromethyl)cyclopropyl]acetamide?
2-[1-(trifluoromethyl)cyclopropyl]acetamide has a molecular weight of 167.13 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethyl)cyclopropyl]acetamide is sourced from PubChem (CID 130977814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).