N-[3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

C14H14F3NO2 — CID 162687872

IUPACN-[3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)C(OCC(F)(F)F)CC2
InChIInChI=1S/C14H14F3NO2/c1-2-13(19)18-10-5-3-9-4-6-12(11(9)7-10)20-8-14(15,16)17/h2-3,5,7,12H,1,4,6,8H2,(H,18,19)
InChIKeyMHTWCYYICDNXKN-UHFFFAOYSA-N
MW285.26 g/mol
LogP3.38
Rot. Bonds4

About N-[3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

N-[3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (PubChem CID 162687872) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
PubChem CID162687872
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)C(OCC(F)(F)F)CC2
InChIInChI=1S/C14H14F3NO2/c1-2-13(19)18-10-5-3-9-4-6-12(11(9)7-10)20-8-14(15,16)17/h2-3,5,7,12H,1,4,6,8H2,(H,18,19)
InChIKeyMHTWCYYICDNXKN-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide 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-[3-(5,5,5-trifluoropentoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687901
N-[3-(1,2,3-trifluoropropoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 175411868
N-[1-[3-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687895
N-[(1R)-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687862
N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 13411359
N-[(1R)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162688006
N-[1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 162687923
N-cyclopropyl-3-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 167874796
N-[3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 166408199
N-[2-hydroxy-1-[3-(trifluoromethyl)anilino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 175411837
N-[3-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421738
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (CID 162687872) is N-[3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is C=CC(=O)Nc1ccc2c(c1)C(OCC(F)(F)F)CC2.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The InChIKey is MHTWCYYICDNXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-2-13(19)18-10-5-3-9-4-6-12(11(9)7-10)20-8-14(15,16)17/h2-3,5,7,12H,1,4,6,8H2,(H,18,19).
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
N-[3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide has a molecular weight of 285.26 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is sourced from PubChem (CID 162687872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).