4-butoxy-1,1,2-trifluorobut-1-ene

C8H13F3O — CID 2736439

IUPAC4-butoxy-1,1,2-trifluorobut-1-ene
SMILESCCCCOCCC(F)=C(F)F
InChIInChI=1S/C8H13F3O/c1-2-3-5-12-6-4-7(9)8(10)11/h2-6H2,1H3
InChIKeyIZMDRNLSDAZWHH-UHFFFAOYSA-N
MW182.18 g/mol
LogP3.27
Rot. Bonds6

About 4-butoxy-1,1,2-trifluorobut-1-ene

4-butoxy-1,1,2-trifluorobut-1-ene (PubChem CID 2736439) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-butoxy-1,1,2-trifluorobut-1-ene.

Molecular Properties

Compound Name4-butoxy-1,1,2-trifluorobut-1-ene
PubChem CID2736439
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name4-butoxy-1,1,2-trifluorobut-1-ene
SMILESCCCCOCCC(F)=C(F)F
InChIInChI=1S/C8H13F3O/c1-2-3-5-12-6-4-7(9)8(10)11/h2-6H2,1H3
InChIKeyIZMDRNLSDAZWHH-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-butoxy-1,1,2-trifluorobut-1-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

4-Ethoxy-1,1,2-trifluorobut-1-ene
CID 2737150
2-Methyl-1-(2,2,3-trifluorobut-3-enoxy)butane
CID 20793149
1,1,2-Trifluoro-5-(4,5,5-trifluoropent-4-enoxy)pent-1-ene
CID 57238254
1,1,2-Trifluoro-4-methoxybut-1-ene
CID 57935351
2-Methyl-1-(2,2,3,4,4-pentafluorobut-3-enoxy)butane
CID 89441115
1,1-Difluoro-4-propoxybut-1-ene
CID 90730997
1,1-Difluoro-5-propoxypent-1-ene
CID 90931488
1,1,2-Trifluoro-4-propoxybut-1-ene
CID 91132557
4-Ethoxy-1,1-difluorobut-1-ene
CID 91802200
1,1-Difluoro-4-methoxy-2-methylbut-1-ene
CID 117734347
4-Ethoxy-1,1-difluoro-2-methylbut-1-ene
CID 117734357
3-(Difluoromethylidene)-1-ethoxypentane
CID 144519441

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-1,1,2-trifluorobut-1-ene?
The IUPAC name of 4-butoxy-1,1,2-trifluorobut-1-ene (CID 2736439) is 4-butoxy-1,1,2-trifluorobut-1-ene.
What is the SMILES notation for 4-butoxy-1,1,2-trifluorobut-1-ene?
The canonical SMILES for 4-butoxy-1,1,2-trifluorobut-1-ene is CCCCOCCC(F)=C(F)F.
What is the InChIKey of 4-butoxy-1,1,2-trifluorobut-1-ene?
The InChIKey is IZMDRNLSDAZWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-2-3-5-12-6-4-7(9)8(10)11/h2-6H2,1H3.
What are the key properties of 4-butoxy-1,1,2-trifluorobut-1-ene?
4-butoxy-1,1,2-trifluorobut-1-ene has a molecular weight of 182.18 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-1,1,2-trifluorobut-1-ene is sourced from PubChem (CID 2736439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).