3-ethoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene

C9H5F13O — CID 19761951

IUPAC3-ethoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene
SMILESCCOC(=C(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5F13O/c1-2-23-4(3(6(11,12)13)7(14,15)16)5(10,8(17,18)19)9(20,21)22/h2H2,1H3
InChIKeyRIZNKOYLUHNBDL-UHFFFAOYSA-N
MW376.11 g/mol
LogP5.23
Rot. Bonds3

About 3-ethoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene

3-ethoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene (PubChem CID 19761951) has the molecular formula C9H5F13O and a molecular weight of 376.11 g/mol. Its IUPAC name is 3-ethoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name3-ethoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene
PubChem CID19761951
Molecular FormulaC9H5F13O
Molecular Weight376.11 g/mol
Exact Mass376.01
IUPAC Name3-ethoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene
SMILESCCOC(=C(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5F13O/c1-2-23-4(3(6(11,12)13)7(14,15)16)5(10,8(17,18)19)9(20,21)22/h2H2,1H3
InChIKeyRIZNKOYLUHNBDL-UHFFFAOYSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.11
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-ethoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene 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

1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyoctane
CID 12726234
ethyl 2,3,3,4,4,5,5,6,6,7,7,7-dodecafluoro-2-(trifluoromethyl)heptanoate
CID 174510530
4-[(E)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]morpholine
CID 145002198
ethyl (E)-4,4,4-trifluoro-2-methyl-3-(tribromomethyl)but-2-enoate
CID 89438283
ethyl N-methylcarbamate;2,2,2-trifluoroacetic acid
CID 172727391
ethyl 3,4,4,4-tetrafluoro-3-(trifluoromethyl)butanoate
CID 170871932
ethyl 3,3,3-trifluoro-2,2-dihydroxypropanoate
CID 154013298
ethyl 3,4,4,5,5,6,6,7,7,7-decafluoro-2-methylidene-3-(trifluoromethyl)heptanoate;ethyl 3,4,4,5,5,5-hexafluoro-2-methylidene-3-(trifluoromethyl)pentanoate
CID 175429588
ethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid
CID 87130668
2-ethoxy-2,3,3,3-tetrafluoropropanamide
CID 2802176
ethyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate
CID 2779778
1-[(E)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]-2,2,3,3,5,5,6,6-octafluoro-4-(trifluoromethyl)piperazine
CID 146542041

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene?
The IUPAC name of 3-ethoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene (CID 19761951) is 3-ethoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 3-ethoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene?
The canonical SMILES for 3-ethoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene is CCOC(=C(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-ethoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene?
The InChIKey is RIZNKOYLUHNBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F13O/c1-2-23-4(3(6(11,12)13)7(14,15)16)5(10,8(17,18)19)9(20,21)22/h2H2,1H3.
What are the key properties of 3-ethoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene?
3-ethoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene has a molecular weight of 376.11 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 19761951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).