2-(trifluoromethoxy)but-1-ene

C5H7F3O — CID 90210903

IUPAC2-(trifluoromethoxy)but-1-ene
SMILESC=C(CC)OC(F)(F)F
InChIInChI=1S/C5H7F3O/c1-3-4(2)9-5(6,7)8/h2-3H2,1H3
InChIKeyVFMRWSVCMHZWCS-UHFFFAOYSA-N
MW140.10 g/mol
LogP2.45
Rot. Bonds2

About 2-(trifluoromethoxy)but-1-ene

2-(trifluoromethoxy)but-1-ene (PubChem CID 90210903) has the molecular formula C5H7F3O and a molecular weight of 140.10 g/mol. Its IUPAC name is 2-(trifluoromethoxy)but-1-ene.

Molecular Properties

Compound Name2-(trifluoromethoxy)but-1-ene
PubChem CID90210903
Molecular FormulaC5H7F3O
Molecular Weight140.10 g/mol
Exact Mass140.04
IUPAC Name2-(trifluoromethoxy)but-1-ene
SMILESC=C(CC)OC(F)(F)F
InChIInChI=1S/C5H7F3O/c1-3-4(2)9-5(6,7)8/h2-3H2,1H3
InChIKeyVFMRWSVCMHZWCS-UHFFFAOYSA-N
XLogP2.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 52.45
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

lithium;2-but-1-en-2-yloxybut-1-ene;hydride
CID 172995000
2-(deuteriooxymethoxy)but-1-ene
CID 88855358
2-ethoxybut-1-ene;2-methoxybut-1-ene
CID 139345076
(2E,4Z)-5-methyl-2-(trifluoromethoxy)hepta-2,4-diene
CID 154026455
2-propoxybut-1-ene
CID 22498061
3-fluoro-2,3-dimethyl-4-methylidenehexane
CID 143721817
trifluoromethyl 2-methylidenedecanoate
CID 90990908
(2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene
CID 144630019
(3E)-5-bromo-3-(trifluoromethoxy)hexa-1,3,5-trien-2-ol
CID 178055051
3,3-difluoro-2-methoxypent-1-ene
CID 143721934
bis(but-1-en-2-yloxy)-oxophosphanium
CID 87234999
2-(methoxymethoxy)but-1-ene
CID 13107534

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)but-1-ene?
The IUPAC name of 2-(trifluoromethoxy)but-1-ene (CID 90210903) is 2-(trifluoromethoxy)but-1-ene.
What is the SMILES notation for 2-(trifluoromethoxy)but-1-ene?
The canonical SMILES for 2-(trifluoromethoxy)but-1-ene is C=C(CC)OC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)but-1-ene?
The InChIKey is VFMRWSVCMHZWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O/c1-3-4(2)9-5(6,7)8/h2-3H2,1H3.
What are the key properties of 2-(trifluoromethoxy)but-1-ene?
2-(trifluoromethoxy)but-1-ene has a molecular weight of 140.10 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)but-1-ene is sourced from PubChem (CID 90210903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).