(3R)-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene

C5H3F7O — CID 26967835

IUPAC(3R)-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene
SMILESC=C[C@](F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F7O/c1-2-3(6,4(7,8)9)13-5(10,11)12/h2H,1H2/t3-/m0/s1
InChIKeyWBIQBVWPTRRHCM-VKHMYHEASA-N
MW212.06 g/mol
LogP2.94
Rot. Bonds2

About (3R)-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene

(3R)-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene (PubChem CID 26967835) has the molecular formula C5H3F7O and a molecular weight of 212.06 g/mol. Its IUPAC name is (3R)-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene.

Molecular Properties

Compound Name(3R)-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene
PubChem CID26967835
Molecular FormulaC5H3F7O
Molecular Weight212.06 g/mol
Exact Mass212.01
IUPAC Name(3R)-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene
SMILESC=C[C@](F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F7O/c1-2-3(6,4(7,8)9)13-5(10,11)12/h2H,1H2/t3-/m0/s1
InChIKeyWBIQBVWPTRRHCM-VKHMYHEASA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R)-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-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

Frequently Asked Questions

What is the IUPAC name of (3R)-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene?
The IUPAC name of (3R)-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene (CID 26967835) is (3R)-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene.
What is the SMILES notation for (3R)-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene?
The canonical SMILES for (3R)-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene is C=C[C@](F)(OC(F)(F)F)C(F)(F)F.
What is the InChIKey of (3R)-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene?
The InChIKey is WBIQBVWPTRRHCM-VKHMYHEASA-N. The full InChI is InChI=1S/C5H3F7O/c1-2-3(6,4(7,8)9)13-5(10,11)12/h2H,1H2/t3-/m0/s1.
What are the key properties of (3R)-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene?
(3R)-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene has a molecular weight of 212.06 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene is sourced from PubChem (CID 26967835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).