(2S)-N-(cyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide

C9H14F3NO2 — CID 51943803

IUPAC(2S)-N-(cyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@H](OCC(F)(F)F)C(=O)NCC1CC1
InChIInChI=1S/C9H14F3NO2/c1-6(15-5-9(10,11)12)8(14)13-4-7-2-3-7/h6-7H,2-5H2,1H3,(H,13,14)/t6-/m0/s1
InChIKeyZXJZSHXQEXTSRZ-LURJTMIESA-N
MW225.21 g/mol
LogP1.48
Rot. Bonds5

About (2S)-N-(cyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide

(2S)-N-(cyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 51943803) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is (2S)-N-(cyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(cyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID51943803
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name(2S)-N-(cyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@H](OCC(F)(F)F)C(=O)NCC1CC1
InChIInChI=1S/C9H14F3NO2/c1-6(15-5-9(10,11)12)8(14)13-4-7-2-3-7/h6-7H,2-5H2,1H3,(H,13,14)/t6-/m0/s1
InChIKeyZXJZSHXQEXTSRZ-LURJTMIESA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2S)-N-(cyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 51943803) is (2S)-N-(cyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2S)-N-(cyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2S)-N-(cyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide is C[C@H](OCC(F)(F)F)C(=O)NCC1CC1.
What is the InChIKey of (2S)-N-(cyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is ZXJZSHXQEXTSRZ-LURJTMIESA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-6(15-5-9(10,11)12)8(14)13-4-7-2-3-7/h6-7H,2-5H2,1H3,(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-N-(cyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide?
(2S)-N-(cyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 225.21 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 51943803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).