1-fluoro-2-methyl-2-(1,1,2,2-tetrafluoropropoxy)propane

C7H11F5O — CID 58362312

IUPAC1-fluoro-2-methyl-2-(1,1,2,2-tetrafluoropropoxy)propane
SMILESCC(C)(CF)OC(F)(F)C(C)(F)F
InChIInChI=1S/C7H11F5O/c1-5(2,4-8)13-7(11,12)6(3,9)10/h4H2,1-3H3
InChIKeyLRPLPIVUYBQJHF-UHFFFAOYSA-N
MW206.15 g/mol
LogP3.00
Rot. Bonds4

About 1-fluoro-2-methyl-2-(1,1,2,2-tetrafluoropropoxy)propane

1-fluoro-2-methyl-2-(1,1,2,2-tetrafluoropropoxy)propane (PubChem CID 58362312) has the molecular formula C7H11F5O and a molecular weight of 206.15 g/mol. Its IUPAC name is 1-fluoro-2-methyl-2-(1,1,2,2-tetrafluoropropoxy)propane.

Molecular Properties

Compound Name1-fluoro-2-methyl-2-(1,1,2,2-tetrafluoropropoxy)propane
PubChem CID58362312
Molecular FormulaC7H11F5O
Molecular Weight206.15 g/mol
Exact Mass206.07
IUPAC Name1-fluoro-2-methyl-2-(1,1,2,2-tetrafluoropropoxy)propane
SMILESCC(C)(CF)OC(F)(F)C(C)(F)F
InChIInChI=1S/C7H11F5O/c1-5(2,4-8)13-7(11,12)6(3,9)10/h4H2,1-3H3
InChIKeyLRPLPIVUYBQJHF-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-2-(1,1,2,2-tetrafluoropropoxy)propane?
The IUPAC name of 1-fluoro-2-methyl-2-(1,1,2,2-tetrafluoropropoxy)propane (CID 58362312) is 1-fluoro-2-methyl-2-(1,1,2,2-tetrafluoropropoxy)propane.
What is the SMILES notation for 1-fluoro-2-methyl-2-(1,1,2,2-tetrafluoropropoxy)propane?
The canonical SMILES for 1-fluoro-2-methyl-2-(1,1,2,2-tetrafluoropropoxy)propane is CC(C)(CF)OC(F)(F)C(C)(F)F.
What is the InChIKey of 1-fluoro-2-methyl-2-(1,1,2,2-tetrafluoropropoxy)propane?
The InChIKey is LRPLPIVUYBQJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5O/c1-5(2,4-8)13-7(11,12)6(3,9)10/h4H2,1-3H3.
What are the key properties of 1-fluoro-2-methyl-2-(1,1,2,2-tetrafluoropropoxy)propane?
1-fluoro-2-methyl-2-(1,1,2,2-tetrafluoropropoxy)propane has a molecular weight of 206.15 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-2-(1,1,2,2-tetrafluoropropoxy)propane is sourced from PubChem (CID 58362312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).