1,1,1,2,2,3,3-heptafluoro-3-(trifluoromethoxy)propane

C4F10O — CID 13058078

IUPAC1,1,1,2,2,3,3-heptafluoro-3-(trifluoromethoxy)propane
SMILESFC(F)(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F10O/c5-1(6,2(7,8)9)3(10,11)15-4(12,13)14
InChIKeyCQSSHKTURFXNGF-UHFFFAOYSA-N
MW254.02 g/mol
LogP3.31
Rot. Bonds2

About 1,1,1,2,2,3,3-heptafluoro-3-(trifluoromethoxy)propane

1,1,1,2,2,3,3-heptafluoro-3-(trifluoromethoxy)propane (PubChem CID 13058078) has the molecular formula C4F10O and a molecular weight of 254.02 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-3-(trifluoromethoxy)propane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-3-(trifluoromethoxy)propane
PubChem CID13058078
Molecular FormulaC4F10O
Molecular Weight254.02 g/mol
Exact Mass253.98
IUPAC Name1,1,1,2,2,3,3-heptafluoro-3-(trifluoromethoxy)propane
SMILESFC(F)(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F10O/c5-1(6,2(7,8)9)3(10,11)15-4(12,13)14
InChIKeyCQSSHKTURFXNGF-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.02
LogP ≤ 53.31
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 1,1,1,2,2,3,3-heptafluoro-3-(trifluoromethoxy)propane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-(trifluoromethoxy)propane (CID 13058078) is 1,1,1,2,2,3,3-heptafluoro-3-(trifluoromethoxy)propane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-3-(trifluoromethoxy)propane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-3-(trifluoromethoxy)propane is FC(F)(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-3-(trifluoromethoxy)propane?
The InChIKey is CQSSHKTURFXNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F10O/c5-1(6,2(7,8)9)3(10,11)15-4(12,13)14.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-3-(trifluoromethoxy)propane?
1,1,1,2,2,3,3-heptafluoro-3-(trifluoromethoxy)propane has a molecular weight of 254.02 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-3-(trifluoromethoxy)propane is sourced from PubChem (CID 13058078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).