5-(1,1-difluoropropoxy)-4,4,5,5-tetrafluoro-2-methylpent-1-ene

C9H12F6O — CID 130460440

IUPAC5-(1,1-difluoropropoxy)-4,4,5,5-tetrafluoro-2-methylpent-1-ene
SMILESC=C(C)CC(F)(F)C(F)(F)OC(F)(F)CC
InChIInChI=1S/C9H12F6O/c1-4-8(12,13)16-9(14,15)7(10,11)5-6(2)3/h2,4-5H2,1,3H3
InChIKeyIRRDRHUTSYUQPC-UHFFFAOYSA-N
MW250.18 g/mol
LogP4.20
Rot. Bonds6

About 5-(1,1-difluoropropoxy)-4,4,5,5-tetrafluoro-2-methylpent-1-ene

5-(1,1-difluoropropoxy)-4,4,5,5-tetrafluoro-2-methylpent-1-ene (PubChem CID 130460440) has the molecular formula C9H12F6O and a molecular weight of 250.18 g/mol. Its IUPAC name is 5-(1,1-difluoropropoxy)-4,4,5,5-tetrafluoro-2-methylpent-1-ene.

Molecular Properties

Compound Name5-(1,1-difluoropropoxy)-4,4,5,5-tetrafluoro-2-methylpent-1-ene
PubChem CID130460440
Molecular FormulaC9H12F6O
Molecular Weight250.18 g/mol
Exact Mass250.08
IUPAC Name5-(1,1-difluoropropoxy)-4,4,5,5-tetrafluoro-2-methylpent-1-ene
SMILESC=C(C)CC(F)(F)C(F)(F)OC(F)(F)CC
InChIInChI=1S/C9H12F6O/c1-4-8(12,13)16-9(14,15)7(10,11)5-6(2)3/h2,4-5H2,1,3H3
InChIKeyIRRDRHUTSYUQPC-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 54.20
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 5-(1,1-difluoropropoxy)-4,4,5,5-tetrafluoro-2-methylpent-1-ene?
The IUPAC name of 5-(1,1-difluoropropoxy)-4,4,5,5-tetrafluoro-2-methylpent-1-ene (CID 130460440) is 5-(1,1-difluoropropoxy)-4,4,5,5-tetrafluoro-2-methylpent-1-ene.
What is the SMILES notation for 5-(1,1-difluoropropoxy)-4,4,5,5-tetrafluoro-2-methylpent-1-ene?
The canonical SMILES for 5-(1,1-difluoropropoxy)-4,4,5,5-tetrafluoro-2-methylpent-1-ene is C=C(C)CC(F)(F)C(F)(F)OC(F)(F)CC.
What is the InChIKey of 5-(1,1-difluoropropoxy)-4,4,5,5-tetrafluoro-2-methylpent-1-ene?
The InChIKey is IRRDRHUTSYUQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O/c1-4-8(12,13)16-9(14,15)7(10,11)5-6(2)3/h2,4-5H2,1,3H3.
What are the key properties of 5-(1,1-difluoropropoxy)-4,4,5,5-tetrafluoro-2-methylpent-1-ene?
5-(1,1-difluoropropoxy)-4,4,5,5-tetrafluoro-2-methylpent-1-ene has a molecular weight of 250.18 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoropropoxy)-4,4,5,5-tetrafluoro-2-methylpent-1-ene is sourced from PubChem (CID 130460440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).