1,2-dimethoxy-3-pent-4-enyl-6-(trifluoromethyl)-1H-indene

C17H19F3O2 — CID 134983475

IUPAC1,2-dimethoxy-3-pent-4-enyl-6-(trifluoromethyl)-1H-indene
SMILESC=CCCCC1=C(OC)C(OC)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H19F3O2/c1-4-5-6-7-13-12-9-8-11(17(18,19)20)10-14(12)16(22-3)15(13)21-2/h4,8-10,16H,1,5-7H2,2-3H3
InChIKeyRNSXBCMTFOUOMU-UHFFFAOYSA-N
MW312.33 g/mol
LogP5.12
Rot. Bonds6

About 1,2-dimethoxy-3-pent-4-enyl-6-(trifluoromethyl)-1H-indene

1,2-dimethoxy-3-pent-4-enyl-6-(trifluoromethyl)-1H-indene (PubChem CID 134983475) has the molecular formula C17H19F3O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1,2-dimethoxy-3-pent-4-enyl-6-(trifluoromethyl)-1H-indene.

Molecular Properties

Compound Name1,2-dimethoxy-3-pent-4-enyl-6-(trifluoromethyl)-1H-indene
PubChem CID134983475
Molecular FormulaC17H19F3O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name1,2-dimethoxy-3-pent-4-enyl-6-(trifluoromethyl)-1H-indene
SMILESC=CCCCC1=C(OC)C(OC)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H19F3O2/c1-4-5-6-7-13-12-9-8-11(17(18,19)20)10-14(12)16(22-3)15(13)21-2/h4,8-10,16H,1,5-7H2,2-3H3
InChIKeyRNSXBCMTFOUOMU-UHFFFAOYSA-N
XLogP5.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.33
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2-dimethoxy-3-pent-4-enyl-6-(trifluoromethyl)-1H-indene 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

(1R,7S,7aR)-1-(2-fluorophenyl)-4-methyl-7-prop-1-en-2-yl-1,6,7,7a-tetrahydro-2-benzofuran
CID 46186906
1,4-dibutyl-3-fluoro-1H-isochromene
CID 101716712
2-[4-Methyl-3-(trifluoromethyl)phenyl]oxirane
CID 139822692
6-(Trifluoromethyl)-1,4-dihydro-1,4-epoxynaphthalene
CID 12153293
1-Methyl-4-(3,3,3-trifluoro-1-methoxypropyl)benzene
CID 153251722
1-Propan-2-yl-4-(2,2,2-trifluoro-1-methoxyethyl)benzene
CID 177851677
2-[2,2-Difluoro-1-(2-methoxyethoxymethoxy)ethenyl]naphthalene
CID 56837743
2-[4-(Trifluoromethyl)phenyl]-2,3-dihydrofuran
CID 72800821
(Z)-1-(4-Methylbenzylidene)-3-(trifluoromethyl)-1,3-dihydroisobenzofuran
CID 101876341
[2-Ethoxy-1-(3,3,3-trifluoroprop-1-en-2-yloxy)but-3-enyl]benzene
CID 102404809
CID 134853763
CID 134853763
(2S,5Z,8S)-2,6-dimethyl-8-[4-(trifluoromethyl)phenyl]-3,4,7,8-tetrahydro-2H-oxocine
CID 134861811

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3-pent-4-enyl-6-(trifluoromethyl)-1H-indene?
The IUPAC name of 1,2-dimethoxy-3-pent-4-enyl-6-(trifluoromethyl)-1H-indene (CID 134983475) is 1,2-dimethoxy-3-pent-4-enyl-6-(trifluoromethyl)-1H-indene.
What is the SMILES notation for 1,2-dimethoxy-3-pent-4-enyl-6-(trifluoromethyl)-1H-indene?
The canonical SMILES for 1,2-dimethoxy-3-pent-4-enyl-6-(trifluoromethyl)-1H-indene is C=CCCCC1=C(OC)C(OC)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1,2-dimethoxy-3-pent-4-enyl-6-(trifluoromethyl)-1H-indene?
The InChIKey is RNSXBCMTFOUOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3O2/c1-4-5-6-7-13-12-9-8-11(17(18,19)20)10-14(12)16(22-3)15(13)21-2/h4,8-10,16H,1,5-7H2,2-3H3.
What are the key properties of 1,2-dimethoxy-3-pent-4-enyl-6-(trifluoromethyl)-1H-indene?
1,2-dimethoxy-3-pent-4-enyl-6-(trifluoromethyl)-1H-indene has a molecular weight of 312.33 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3-pent-4-enyl-6-(trifluoromethyl)-1H-indene is sourced from PubChem (CID 134983475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).