1-(1,2,2-trifluoroethenoxy)but-1-ene

C6H7F3O — CID 54322123

IUPAC1-(1,2,2-trifluoroethenoxy)but-1-ene
SMILESCCC=COC(F)=C(F)F
InChIInChI=1S/C6H7F3O/c1-2-3-4-10-6(9)5(7)8/h3-4H,2H2,1H3
InChIKeySSJQGTCWHORFTI-UHFFFAOYSA-N
MW152.11 g/mol
LogP2.96
Rot. Bonds3

About 1-(1,2,2-trifluoroethenoxy)but-1-ene

1-(1,2,2-trifluoroethenoxy)but-1-ene (PubChem CID 54322123) has the molecular formula C6H7F3O and a molecular weight of 152.11 g/mol. Its IUPAC name is 1-(1,2,2-trifluoroethenoxy)but-1-ene.

Molecular Properties

Compound Name1-(1,2,2-trifluoroethenoxy)but-1-ene
PubChem CID54322123
Molecular FormulaC6H7F3O
Molecular Weight152.11 g/mol
Exact Mass152.04
IUPAC Name1-(1,2,2-trifluoroethenoxy)but-1-ene
SMILESCCC=COC(F)=C(F)F
InChIInChI=1S/C6H7F3O/c1-2-3-4-10-6(9)5(7)8/h3-4H,2H2,1H3
InChIKeySSJQGTCWHORFTI-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-Methoxy-3,3,3-trifluoroprop-1-ene
CID 11116063
1-Methoxy-3,3,3-trifluoropropene
CID 5709611
(1E)-1-Ethoxy-3,3,3-trifluoro-1-propene
CID 14386937
Trifluor-athyl-vinyl-ather
CID 57017951
Perfluoroisopropyl propenyl ether
CID 73876896
2,2-difluoro-3H-furan
CID 123243183
1-Ethoxy-3-(trifluoromethyl)buta-1,3-diene
CID 10899045
cis-1-Methoxy-3,3,3-trifluoropropene
CID 2782383
(1E)-1-Ethoxy-3,3,3-trifluoroprop-1-ene
CID 10960377
(Z)-1-ethoxy-3,3,3-trifluoroprop-1-ene
CID 14386936
3,3-difluoro-2H-furan
CID 19046670
(E)-1-(2,2,2-trifluoroethoxy)prop-1-ene
CID 21721202

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-trifluoroethenoxy)but-1-ene?
The IUPAC name of 1-(1,2,2-trifluoroethenoxy)but-1-ene (CID 54322123) is 1-(1,2,2-trifluoroethenoxy)but-1-ene.
What is the SMILES notation for 1-(1,2,2-trifluoroethenoxy)but-1-ene?
The canonical SMILES for 1-(1,2,2-trifluoroethenoxy)but-1-ene is CCC=COC(F)=C(F)F.
What is the InChIKey of 1-(1,2,2-trifluoroethenoxy)but-1-ene?
The InChIKey is SSJQGTCWHORFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O/c1-2-3-4-10-6(9)5(7)8/h3-4H,2H2,1H3.
What are the key properties of 1-(1,2,2-trifluoroethenoxy)but-1-ene?
1-(1,2,2-trifluoroethenoxy)but-1-ene has a molecular weight of 152.11 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trifluoroethenoxy)but-1-ene is sourced from PubChem (CID 54322123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).