3,4,4,4-tetrafluoro-3-(2-methylbutoxymethyl)but-1-ene

C10H16F4O — CID 58864070

IUPAC3,4,4,4-tetrafluoro-3-(2-methylbutoxymethyl)but-1-ene
SMILESC=CC(F)(COCC(C)CC)C(F)(F)F
InChIInChI=1S/C10H16F4O/c1-4-8(3)6-15-7-9(11,5-2)10(12,13)14/h5,8H,2,4,6-7H2,1,3H3
InChIKeyGOYSFYXBBQDHJR-UHFFFAOYSA-N
MW228.23 g/mol
LogP3.51
Rot. Bonds6

About 3,4,4,4-tetrafluoro-3-(2-methylbutoxymethyl)but-1-ene

3,4,4,4-tetrafluoro-3-(2-methylbutoxymethyl)but-1-ene (PubChem CID 58864070) has the molecular formula C10H16F4O and a molecular weight of 228.23 g/mol. Its IUPAC name is 3,4,4,4-tetrafluoro-3-(2-methylbutoxymethyl)but-1-ene.

Molecular Properties

Compound Name3,4,4,4-tetrafluoro-3-(2-methylbutoxymethyl)but-1-ene
PubChem CID58864070
Molecular FormulaC10H16F4O
Molecular Weight228.23 g/mol
Exact Mass228.11
IUPAC Name3,4,4,4-tetrafluoro-3-(2-methylbutoxymethyl)but-1-ene
SMILESC=CC(F)(COCC(C)CC)C(F)(F)F
InChIInChI=1S/C10H16F4O/c1-4-8(3)6-15-7-9(11,5-2)10(12,13)14/h5,8H,2,4,6-7H2,1,3H3
InChIKeyGOYSFYXBBQDHJR-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,4-tetrafluoro-3-(2-methylbutoxymethyl)but-1-ene?
The IUPAC name of 3,4,4,4-tetrafluoro-3-(2-methylbutoxymethyl)but-1-ene (CID 58864070) is 3,4,4,4-tetrafluoro-3-(2-methylbutoxymethyl)but-1-ene.
What is the SMILES notation for 3,4,4,4-tetrafluoro-3-(2-methylbutoxymethyl)but-1-ene?
The canonical SMILES for 3,4,4,4-tetrafluoro-3-(2-methylbutoxymethyl)but-1-ene is C=CC(F)(COCC(C)CC)C(F)(F)F.
What is the InChIKey of 3,4,4,4-tetrafluoro-3-(2-methylbutoxymethyl)but-1-ene?
The InChIKey is GOYSFYXBBQDHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4O/c1-4-8(3)6-15-7-9(11,5-2)10(12,13)14/h5,8H,2,4,6-7H2,1,3H3.
What are the key properties of 3,4,4,4-tetrafluoro-3-(2-methylbutoxymethyl)but-1-ene?
3,4,4,4-tetrafluoro-3-(2-methylbutoxymethyl)but-1-ene has a molecular weight of 228.23 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,4-tetrafluoro-3-(2-methylbutoxymethyl)but-1-ene is sourced from PubChem (CID 58864070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).