(4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one

C8H10F4O2 — CID 167252091

IUPAC(4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one
SMILESC=CC(=O)[C@H](C)OCC(F)(F)C(F)F
InChIInChI=1S/C8H10F4O2/c1-3-6(13)5(2)14-4-8(11,12)7(9)10/h3,5,7H,1,4H2,2H3/t5-/m0/s1
InChIKeyWWHDYHOPLCAPFO-YFKPBYRVSA-N
MW214.16 g/mol
LogP2.05
Rot. Bonds6

About (4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one

(4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one (PubChem CID 167252091) has the molecular formula C8H10F4O2 and a molecular weight of 214.16 g/mol. Its IUPAC name is (4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one.

Molecular Properties

Compound Name(4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one
PubChem CID167252091
Molecular FormulaC8H10F4O2
Molecular Weight214.16 g/mol
Exact Mass214.06
IUPAC Name(4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one
SMILESC=CC(=O)[C@H](C)OCC(F)(F)C(F)F
InChIInChI=1S/C8H10F4O2/c1-3-6(13)5(2)14-4-8(11,12)7(9)10/h3,5,7H,1,4H2,2H3/t5-/m0/s1
InChIKeyWWHDYHOPLCAPFO-YFKPBYRVSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one?
The IUPAC name of (4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one (CID 167252091) is (4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one.
What is the SMILES notation for (4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one?
The canonical SMILES for (4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one is C=CC(=O)[C@H](C)OCC(F)(F)C(F)F.
What is the InChIKey of (4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one?
The InChIKey is WWHDYHOPLCAPFO-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10F4O2/c1-3-6(13)5(2)14-4-8(11,12)7(9)10/h3,5,7H,1,4H2,2H3/t5-/m0/s1.
What are the key properties of (4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one?
(4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one has a molecular weight of 214.16 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one is sourced from PubChem (CID 167252091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).