N-[(2S)-4,4,4-trifluorobutan-2-yl]cyclopropanecarboxamide

C8H12F3NO — CID 89207470

IUPACN-[(2S)-4,4,4-trifluorobutan-2-yl]cyclopropanecarboxamide
SMILESC[C@@H](CC(F)(F)F)NC(=O)C1CC1
InChIInChI=1S/C8H12F3NO/c1-5(4-8(9,10)11)12-7(13)6-2-3-6/h5-6H,2-4H2,1H3,(H,12,13)/t5-/m0/s1
InChIKeyZFWJYXNQCBOYAF-YFKPBYRVSA-N
MW195.18 g/mol
LogP1.85
Rot. Bonds3

About N-[(2S)-4,4,4-trifluorobutan-2-yl]cyclopropanecarboxamide

N-[(2S)-4,4,4-trifluorobutan-2-yl]cyclopropanecarboxamide (PubChem CID 89207470) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is N-[(2S)-4,4,4-trifluorobutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-4,4,4-trifluorobutan-2-yl]cyclopropanecarboxamide
PubChem CID89207470
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC NameN-[(2S)-4,4,4-trifluorobutan-2-yl]cyclopropanecarboxamide
SMILESC[C@@H](CC(F)(F)F)NC(=O)C1CC1
InChIInChI=1S/C8H12F3NO/c1-5(4-8(9,10)11)12-7(13)6-2-3-6/h5-6H,2-4H2,1H3,(H,12,13)/t5-/m0/s1
InChIKeyZFWJYXNQCBOYAF-YFKPBYRVSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4,4,4-trifluorobutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2S)-4,4,4-trifluorobutan-2-yl]cyclopropanecarboxamide (CID 89207470) is N-[(2S)-4,4,4-trifluorobutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S)-4,4,4-trifluorobutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S)-4,4,4-trifluorobutan-2-yl]cyclopropanecarboxamide is C[C@@H](CC(F)(F)F)NC(=O)C1CC1.
What is the InChIKey of N-[(2S)-4,4,4-trifluorobutan-2-yl]cyclopropanecarboxamide?
The InChIKey is ZFWJYXNQCBOYAF-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-5(4-8(9,10)11)12-7(13)6-2-3-6/h5-6H,2-4H2,1H3,(H,12,13)/t5-/m0/s1.
What are the key properties of N-[(2S)-4,4,4-trifluorobutan-2-yl]cyclopropanecarboxamide?
N-[(2S)-4,4,4-trifluorobutan-2-yl]cyclopropanecarboxamide has a molecular weight of 195.18 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4,4,4-trifluorobutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 89207470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).