1-(3,3-diethoxyprop-1-en-2-yl)-4-(trifluoromethyl)benzene

C14H17F3O2 — CID 162410450

IUPAC1-(3,3-diethoxyprop-1-en-2-yl)-4-(trifluoromethyl)benzene
SMILESC=C(c1ccc(C(F)(F)F)cc1)C(OCC)OCC
InChIInChI=1S/C14H17F3O2/c1-4-18-13(19-5-2)10(3)11-6-8-12(9-7-11)14(15,16)17/h6-9,13H,3-5H2,1-2H3
InChIKeyOUGAMOFCLVYKLL-UHFFFAOYSA-N
MW274.28 g/mol
LogP4.12
Rot. Bonds6

About 1-(3,3-diethoxyprop-1-en-2-yl)-4-(trifluoromethyl)benzene

1-(3,3-diethoxyprop-1-en-2-yl)-4-(trifluoromethyl)benzene (PubChem CID 162410450) has the molecular formula C14H17F3O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-(3,3-diethoxyprop-1-en-2-yl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3,3-diethoxyprop-1-en-2-yl)-4-(trifluoromethyl)benzene
PubChem CID162410450
Molecular FormulaC14H17F3O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name1-(3,3-diethoxyprop-1-en-2-yl)-4-(trifluoromethyl)benzene
SMILESC=C(c1ccc(C(F)(F)F)cc1)C(OCC)OCC
InChIInChI=1S/C14H17F3O2/c1-4-18-13(19-5-2)10(3)11-6-8-12(9-7-11)14(15,16)17/h6-9,13H,3-5H2,1-2H3
InChIKeyOUGAMOFCLVYKLL-UHFFFAOYSA-N
XLogP4.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethoxyprop-1-en-2-yl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(3,3-diethoxyprop-1-en-2-yl)-4-(trifluoromethyl)benzene (CID 162410450) is 1-(3,3-diethoxyprop-1-en-2-yl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3,3-diethoxyprop-1-en-2-yl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3,3-diethoxyprop-1-en-2-yl)-4-(trifluoromethyl)benzene is C=C(c1ccc(C(F)(F)F)cc1)C(OCC)OCC.
What is the InChIKey of 1-(3,3-diethoxyprop-1-en-2-yl)-4-(trifluoromethyl)benzene?
The InChIKey is OUGAMOFCLVYKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O2/c1-4-18-13(19-5-2)10(3)11-6-8-12(9-7-11)14(15,16)17/h6-9,13H,3-5H2,1-2H3.
What are the key properties of 1-(3,3-diethoxyprop-1-en-2-yl)-4-(trifluoromethyl)benzene?
1-(3,3-diethoxyprop-1-en-2-yl)-4-(trifluoromethyl)benzene has a molecular weight of 274.28 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxyprop-1-en-2-yl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 162410450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).