(5S)-2,2,3,3,4,5,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane

C7H3F11O — CID 89214814

IUPAC(5S)-2,2,3,3,4,5,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane
SMILESFC1OC(F)(F)C(F)(F)C(F)(C(F)(F)C(F)F)[C@@H]1F
InChIInChI=1S/C7H3F11O/c8-1-2(9)19-7(17,18)6(15,16)4(1,12)5(13,14)3(10)11/h1-3H/t1-,2?,4?/m1/s1
InChIKeyPCOZFLYFJNFOER-VZDVBGSLSA-N
MW312.08 g/mol
LogP3.49
Rot. Bonds2

About (5S)-2,2,3,3,4,5,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane

(5S)-2,2,3,3,4,5,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane (PubChem CID 89214814) has the molecular formula C7H3F11O and a molecular weight of 312.08 g/mol. Its IUPAC name is (5S)-2,2,3,3,4,5,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane.

Molecular Properties

Compound Name(5S)-2,2,3,3,4,5,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane
PubChem CID89214814
Molecular FormulaC7H3F11O
Molecular Weight312.08 g/mol
Exact Mass312.00
IUPAC Name(5S)-2,2,3,3,4,5,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane
SMILESFC1OC(F)(F)C(F)(F)C(F)(C(F)(F)C(F)F)[C@@H]1F
InChIInChI=1S/C7H3F11O/c8-1-2(9)19-7(17,18)6(15,16)4(1,12)5(13,14)3(10)11/h1-3H/t1-,2?,4?/m1/s1
InChIKeyPCOZFLYFJNFOER-VZDVBGSLSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.08
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3,4,4,5,5-Hexafluorotetrahydro-2H-pyran
CID 129806523
4-(Trifluoromethyl)tetrahydro-2H-pyran
CID 54105449
2H-Pyran, 4-(difluoromethyl)tetrahydro-
CID 97890136
2,2,3,3,4,4,5,5,6-Nonafluorooxane
CID 21954167
2,2,3,3,4,4,5,5-Octafluorooxane
CID 22660393
2,2,4,5,5-Pentafluoro-4-(fluoromethyl)oxane
CID 53839736
4-Ethyl-2,2,3,3,4,6,6-heptafluorooxane
CID 58488798
2,2,3,3,5-Pentafluoro-4-(fluoromethyl)oxane
CID 58957487
2,2,3,3-Tetrafluorooxane
CID 58957492
(4R,6S)-2,2,3,3,4,5,5,6-octafluorooxane
CID 73057716
2,2,3,4,4,5,5,6-Octafluoro-3-(trifluoromethyl)oxane
CID 88794808
2,2,3,4,4,5,5,6-Octafluoro-3-(1,1,2,2,2-pentafluoroethyl)oxane
CID 88795069

Frequently Asked Questions

What is the IUPAC name of (5S)-2,2,3,3,4,5,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane?
The IUPAC name of (5S)-2,2,3,3,4,5,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane (CID 89214814) is (5S)-2,2,3,3,4,5,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane.
What is the SMILES notation for (5S)-2,2,3,3,4,5,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane?
The canonical SMILES for (5S)-2,2,3,3,4,5,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane is FC1OC(F)(F)C(F)(F)C(F)(C(F)(F)C(F)F)[C@@H]1F.
What is the InChIKey of (5S)-2,2,3,3,4,5,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane?
The InChIKey is PCOZFLYFJNFOER-VZDVBGSLSA-N. The full InChI is InChI=1S/C7H3F11O/c8-1-2(9)19-7(17,18)6(15,16)4(1,12)5(13,14)3(10)11/h1-3H/t1-,2?,4?/m1/s1.
What are the key properties of (5S)-2,2,3,3,4,5,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane?
(5S)-2,2,3,3,4,5,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane has a molecular weight of 312.08 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2,3,3,4,5,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane is sourced from PubChem (CID 89214814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).