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

C8H12F4O — CID 139758333

IUPAC2-methyl-4-(1,1,2,2-tetrafluoropropoxy)but-1-ene
SMILESC=C(C)CCOC(F)(F)C(C)(F)F
InChIInChI=1S/C8H12F4O/c1-6(2)4-5-13-8(11,12)7(3,9)10/h1,4-5H2,2-3H3
InChIKeyFNYNCJAHPGCUHC-UHFFFAOYSA-N
MW200.17 g/mol
LogP3.22
Rot. Bonds5

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

2-methyl-4-(1,1,2,2-tetrafluoropropoxy)but-1-ene (PubChem CID 139758333) has the molecular formula C8H12F4O and a molecular weight of 200.17 g/mol. Its IUPAC name is 2-methyl-4-(1,1,2,2-tetrafluoropropoxy)but-1-ene.

Molecular Properties

Compound Name2-methyl-4-(1,1,2,2-tetrafluoropropoxy)but-1-ene
PubChem CID139758333
Molecular FormulaC8H12F4O
Molecular Weight200.17 g/mol
Exact Mass200.08
IUPAC Name2-methyl-4-(1,1,2,2-tetrafluoropropoxy)but-1-ene
SMILESC=C(C)CCOC(F)(F)C(C)(F)F
InChIInChI=1S/C8H12F4O/c1-6(2)4-5-13-8(11,12)7(3,9)10/h1,4-5H2,2-3H3
InChIKeyFNYNCJAHPGCUHC-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,1,2,2-tetrafluoropropoxy)but-1-ene?
The IUPAC name of 2-methyl-4-(1,1,2,2-tetrafluoropropoxy)but-1-ene (CID 139758333) is 2-methyl-4-(1,1,2,2-tetrafluoropropoxy)but-1-ene.
What is the SMILES notation for 2-methyl-4-(1,1,2,2-tetrafluoropropoxy)but-1-ene?
The canonical SMILES for 2-methyl-4-(1,1,2,2-tetrafluoropropoxy)but-1-ene is C=C(C)CCOC(F)(F)C(C)(F)F.
What is the InChIKey of 2-methyl-4-(1,1,2,2-tetrafluoropropoxy)but-1-ene?
The InChIKey is FNYNCJAHPGCUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4O/c1-6(2)4-5-13-8(11,12)7(3,9)10/h1,4-5H2,2-3H3.
What are the key properties of 2-methyl-4-(1,1,2,2-tetrafluoropropoxy)but-1-ene?
2-methyl-4-(1,1,2,2-tetrafluoropropoxy)but-1-ene has a molecular weight of 200.17 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,1,2,2-tetrafluoropropoxy)but-1-ene is sourced from PubChem (CID 139758333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).