2-methyl-4-(1,1,2-trifluoroethoxy)but-1-ene

C7H11F3O — CID 139758334

IUPAC2-methyl-4-(1,1,2-trifluoroethoxy)but-1-ene
SMILESC=C(C)CCOC(F)(F)CF
InChIInChI=1S/C7H11F3O/c1-6(2)3-4-11-7(9,10)5-8/h1,3-5H2,2H3
InChIKeyXTWFFFJUPHXPLC-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.53
Rot. Bonds5

About 2-methyl-4-(1,1,2-trifluoroethoxy)but-1-ene

2-methyl-4-(1,1,2-trifluoroethoxy)but-1-ene (PubChem CID 139758334) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 2-methyl-4-(1,1,2-trifluoroethoxy)but-1-ene.

Molecular Properties

Compound Name2-methyl-4-(1,1,2-trifluoroethoxy)but-1-ene
PubChem CID139758334
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name2-methyl-4-(1,1,2-trifluoroethoxy)but-1-ene
SMILESC=C(C)CCOC(F)(F)CF
InChIInChI=1S/C7H11F3O/c1-6(2)3-4-11-7(9,10)5-8/h1,3-5H2,2H3
InChIKeyXTWFFFJUPHXPLC-UHFFFAOYSA-N
XLogP2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-ethoxy-1,2-difluoro-3-methylbut-1-ene
CID 15507746
1,1,1-Trifluoro-2-[[2-fluoro-3-(trifluoromethyl)but-3-enoxy]methyl]-2-methylbutane
CID 20793113
3,4,4,4-Tetrafluoro-3-(2-methylbutoxymethyl)-2-(trifluoromethyl)but-1-ene
CID 60067208
O-ethyl 3-(trifluoromethyl)but-3-enethioate
CID 88654075
1,1-Difluoro-4-methoxy-2-methylbut-1-ene
CID 117734347
4-Ethoxy-1,1-difluoro-2-methylbut-1-ene
CID 117734357
4-Ethoxy-2-(trifluoromethyl)but-1-ene
CID 118680511
3,3,4-Trifluoro-4-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-2-methylbut-1-ene
CID 124118214
3,3,4-Trifluoro-4-methoxy-2-methylbut-1-ene
CID 134531024
3,3,4-Trifluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropoxy)-2-methylbut-1-ene
CID 134531027
2-Methyl-4-(trifluoromethoxy)pent-1-ene
CID 134560259
2-Methyl-4-(1,1,2,2-tetrafluoropropoxy)but-1-ene
CID 139758333

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,1,2-trifluoroethoxy)but-1-ene?
The IUPAC name of 2-methyl-4-(1,1,2-trifluoroethoxy)but-1-ene (CID 139758334) is 2-methyl-4-(1,1,2-trifluoroethoxy)but-1-ene.
What is the SMILES notation for 2-methyl-4-(1,1,2-trifluoroethoxy)but-1-ene?
The canonical SMILES for 2-methyl-4-(1,1,2-trifluoroethoxy)but-1-ene is C=C(C)CCOC(F)(F)CF.
What is the InChIKey of 2-methyl-4-(1,1,2-trifluoroethoxy)but-1-ene?
The InChIKey is XTWFFFJUPHXPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c1-6(2)3-4-11-7(9,10)5-8/h1,3-5H2,2H3.
What are the key properties of 2-methyl-4-(1,1,2-trifluoroethoxy)but-1-ene?
2-methyl-4-(1,1,2-trifluoroethoxy)but-1-ene has a molecular weight of 168.16 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,1,2-trifluoroethoxy)but-1-ene is sourced from PubChem (CID 139758334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).