N-[(2S)-1-[ethyl(2,2,2-trifluoroethyl)amino]pentan-2-yl]-N-methylformamide

C11H21F3N2O — CID 144814248

IUPACN-[(2S)-1-[ethyl(2,2,2-trifluoroethyl)amino]pentan-2-yl]-N-methylformamide
SMILESCCC[C@@H](CN(CC)CC(F)(F)F)N(C)C=O
InChIInChI=1S/C11H21F3N2O/c1-4-6-10(15(3)9-17)7-16(5-2)8-11(12,13)14/h9-10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyBYOZSTQBVHTWPN-JTQLQIEISA-N
MW254.30 g/mol
LogP2.13
Rot. Bonds8

About N-[(2S)-1-[ethyl(2,2,2-trifluoroethyl)amino]pentan-2-yl]-N-methylformamide

N-[(2S)-1-[ethyl(2,2,2-trifluoroethyl)amino]pentan-2-yl]-N-methylformamide (PubChem CID 144814248) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[(2S)-1-[ethyl(2,2,2-trifluoroethyl)amino]pentan-2-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[(2S)-1-[ethyl(2,2,2-trifluoroethyl)amino]pentan-2-yl]-N-methylformamide
PubChem CID144814248
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN-[(2S)-1-[ethyl(2,2,2-trifluoroethyl)amino]pentan-2-yl]-N-methylformamide
SMILESCCC[C@@H](CN(CC)CC(F)(F)F)N(C)C=O
InChIInChI=1S/C11H21F3N2O/c1-4-6-10(15(3)9-17)7-16(5-2)8-11(12,13)14/h9-10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyBYOZSTQBVHTWPN-JTQLQIEISA-N
XLogP2.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(2S)-1-[ethyl(2,2,2-trifluoroethyl)amino]pentan-2-yl]-N-methylformamide 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

3,3-Difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 145233597
4,4-Difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 145233611
4-(4,4-Difluorocyclohexyl)piperazine-1-carbaldehyde
CID 175528078
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)formamide
CID 64992300
4-(4-Butylpiperazin-1-yl)-3,3-difluoropiperidine-1-carbaldehyde
CID 176558303
N-cyclopentyl-N-[2-(dimethylamino)ethyl]formamide
CID 64992815
N-[2-[cyclopentyl(ethyl)amino]ethyl]-N-methylformamide
CID 143445182
N-[2-[ethyl(hexan-3-yl)amino]ethyl]-N-methylformamide
CID 143540663

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[ethyl(2,2,2-trifluoroethyl)amino]pentan-2-yl]-N-methylformamide?
The IUPAC name of N-[(2S)-1-[ethyl(2,2,2-trifluoroethyl)amino]pentan-2-yl]-N-methylformamide (CID 144814248) is N-[(2S)-1-[ethyl(2,2,2-trifluoroethyl)amino]pentan-2-yl]-N-methylformamide.
What is the SMILES notation for N-[(2S)-1-[ethyl(2,2,2-trifluoroethyl)amino]pentan-2-yl]-N-methylformamide?
The canonical SMILES for N-[(2S)-1-[ethyl(2,2,2-trifluoroethyl)amino]pentan-2-yl]-N-methylformamide is CCC[C@@H](CN(CC)CC(F)(F)F)N(C)C=O.
What is the InChIKey of N-[(2S)-1-[ethyl(2,2,2-trifluoroethyl)amino]pentan-2-yl]-N-methylformamide?
The InChIKey is BYOZSTQBVHTWPN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-4-6-10(15(3)9-17)7-16(5-2)8-11(12,13)14/h9-10H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of N-[(2S)-1-[ethyl(2,2,2-trifluoroethyl)amino]pentan-2-yl]-N-methylformamide?
N-[(2S)-1-[ethyl(2,2,2-trifluoroethyl)amino]pentan-2-yl]-N-methylformamide has a molecular weight of 254.30 g/mol, XLogP of 2.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[ethyl(2,2,2-trifluoroethyl)amino]pentan-2-yl]-N-methylformamide is sourced from PubChem (CID 144814248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).