(2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2,3-dihydropyran-4-one

C8H5F7O2 — CID 101060061

IUPAC(2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2,3-dihydropyran-4-one
SMILESO=C1C=CO[C@@H](C(F)(F)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C8H5F7O2/c9-6(10,7(11,12)8(13,14)15)5-3-4(16)1-2-17-5/h1-2,5H,3H2/t5-/m1/s1
InChIKeyKACXYXJCOBZCJD-RXMQYKEDSA-N
MW266.11 g/mol
LogP2.69
Rot. Bonds2

About (2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2,3-dihydropyran-4-one

(2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2,3-dihydropyran-4-one (PubChem CID 101060061) has the molecular formula C8H5F7O2 and a molecular weight of 266.11 g/mol. Its IUPAC name is (2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2,3-dihydropyran-4-one
PubChem CID101060061
Molecular FormulaC8H5F7O2
Molecular Weight266.11 g/mol
Exact Mass266.02
IUPAC Name(2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2,3-dihydropyran-4-one
SMILESO=C1C=CO[C@@H](C(F)(F)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C8H5F7O2/c9-6(10,7(11,12)8(13,14)15)5-3-4(16)1-2-17-5/h1-2,5H,3H2/t5-/m1/s1
InChIKeyKACXYXJCOBZCJD-RXMQYKEDSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.11
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-3,3-difluoro-2,3-dihydro-4H-pyran-4-one
CID 45090769
2-(2,2,2-Trifluoroethyl)-2,3-dihydropyran-4-one
CID 118366718
2-(1,1,2,2-Tetrafluoroethyl)-2,3-dihydropyran-4-one
CID 140605224
2-[1-(Difluoromethoxy)-2,2-difluoroethyl]-2,3-dihydropyran-4-one
CID 140605225
2-(Difluoromethyl)-2,3-dihydropyran-4-one
CID 10464474
2-(5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluorodecyl)-2,3-dihydropyran-4-one
CID 10950806
2-(1,1,2,2,3,3,4,4-Octafluorobutyl)-2,3-dihydropyran-4-one
CID 15321294
2-(5,5,6,6,7,7,8,8,8-Nonafluorooctyl)-2,3-dihydropyran-4-one
CID 85746790
(2S)-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-2,3-dihydropyran-4-one
CID 101060060
(2S)-2-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)-2,3-dihydropyran-4-one
CID 101060062
(2S)-2-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)-2,3-dihydropyran-4-one
CID 101060063
(2S)-2-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-2,3-dihydropyran-4-one
CID 101060064

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2,3-dihydropyran-4-one?
The IUPAC name of (2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2,3-dihydropyran-4-one (CID 101060061) is (2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2,3-dihydropyran-4-one?
The canonical SMILES for (2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2,3-dihydropyran-4-one is O=C1C=CO[C@@H](C(F)(F)C(F)(F)C(F)(F)F)C1.
What is the InChIKey of (2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2,3-dihydropyran-4-one?
The InChIKey is KACXYXJCOBZCJD-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H5F7O2/c9-6(10,7(11,12)8(13,14)15)5-3-4(16)1-2-17-5/h1-2,5H,3H2/t5-/m1/s1.
What are the key properties of (2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2,3-dihydropyran-4-one?
(2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2,3-dihydropyran-4-one has a molecular weight of 266.11 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 101060061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).