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

C11H18F3NO2 — CID 51943829

IUPAC(2S)-N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@H](OCC(F)(F)F)C(=O)NCC1CCCC1
InChIInChI=1S/C11H18F3NO2/c1-8(17-7-11(12,13)14)10(16)15-6-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyMDFDBDVCNILQQI-QMMMGPOBSA-N
MW253.26 g/mol
LogP2.26
Rot. Bonds5

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

(2S)-N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 51943829) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is (2S)-N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID51943829
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name(2S)-N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@H](OCC(F)(F)F)C(=O)NCC1CCCC1
InChIInChI=1S/C11H18F3NO2/c1-8(17-7-11(12,13)14)10(16)15-6-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyMDFDBDVCNILQQI-QMMMGPOBSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-butylcyclopentyl)-2-ethoxypropanamide
CID 71879629
N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45823382
N-cyclopentyl-2-(2,2,2-trifluoroethoxy)propanamide
CID 45887372
N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 45887868
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 47035825
2-propan-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 48144627
2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 48144766
(2S)-N-cyclopentyl-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943640
(2R)-N-cyclopentyl-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943641
(2R)-N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943830
2-(2,2,2-trifluoroethoxy)-N-(2,2,6-trimethylheptan-3-yl)propanamide
CID 60316467
2-[1-(aminomethyl)cyclopentyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 65051031

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2S)-N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 51943829) is (2S)-N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2S)-N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2S)-N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide is C[C@H](OCC(F)(F)F)C(=O)NCC1CCCC1.
What is the InChIKey of (2S)-N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is MDFDBDVCNILQQI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-8(17-7-11(12,13)14)10(16)15-6-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide?
(2S)-N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 253.26 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 51943829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).