1,1,4,4-tetrafluoro-4-propoxybut-1-ene

C7H10F4O — CID 18684080

IUPAC1,1,4,4-tetrafluoro-4-propoxybut-1-ene
SMILESCCCOC(F)(F)CC=C(F)F
InChIInChI=1S/C7H10F4O/c1-2-5-12-7(10,11)4-3-6(8)9/h3H,2,4-5H2,1H3
InChIKeyKUZTZIVRUHGPDN-UHFFFAOYSA-N
MW186.15 g/mol
LogP3.18
Rot. Bonds5

About 1,1,4,4-tetrafluoro-4-propoxybut-1-ene

1,1,4,4-tetrafluoro-4-propoxybut-1-ene (PubChem CID 18684080) has the molecular formula C7H10F4O and a molecular weight of 186.15 g/mol. Its IUPAC name is 1,1,4,4-tetrafluoro-4-propoxybut-1-ene.

Molecular Properties

Compound Name1,1,4,4-tetrafluoro-4-propoxybut-1-ene
PubChem CID18684080
Molecular FormulaC7H10F4O
Molecular Weight186.15 g/mol
Exact Mass186.07
IUPAC Name1,1,4,4-tetrafluoro-4-propoxybut-1-ene
SMILESCCCOC(F)(F)CC=C(F)F
InChIInChI=1S/C7H10F4O/c1-2-5-12-7(10,11)4-3-6(8)9/h3H,2,4-5H2,1H3
InChIKeyKUZTZIVRUHGPDN-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.15
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetrafluoro-4-propoxybut-1-ene?
The IUPAC name of 1,1,4,4-tetrafluoro-4-propoxybut-1-ene (CID 18684080) is 1,1,4,4-tetrafluoro-4-propoxybut-1-ene.
What is the SMILES notation for 1,1,4,4-tetrafluoro-4-propoxybut-1-ene?
The canonical SMILES for 1,1,4,4-tetrafluoro-4-propoxybut-1-ene is CCCOC(F)(F)CC=C(F)F.
What is the InChIKey of 1,1,4,4-tetrafluoro-4-propoxybut-1-ene?
The InChIKey is KUZTZIVRUHGPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4O/c1-2-5-12-7(10,11)4-3-6(8)9/h3H,2,4-5H2,1H3.
What are the key properties of 1,1,4,4-tetrafluoro-4-propoxybut-1-ene?
1,1,4,4-tetrafluoro-4-propoxybut-1-ene has a molecular weight of 186.15 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetrafluoro-4-propoxybut-1-ene is sourced from PubChem (CID 18684080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).