(E)-3-[(2R,3R)-3-(4,4,5,5,5-pentafluoropentyl)oxiran-2-yl]prop-2-enal

C10H11F5O2 — CID 22845980

IUPAC(E)-3-[(2R,3R)-3-(4,4,5,5,5-pentafluoropentyl)oxiran-2-yl]prop-2-enal
SMILESO=C/C=C/[C@H]1O[C@@H]1CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F5O2/c11-9(12,10(13,14)15)5-1-3-7-8(17-7)4-2-6-16/h2,4,6-8H,1,3,5H2/b4-2+/t7-,8-/m1/s1
InChIKeyHMHHCWCUYKSZEU-WGAMGKKUSA-N
MW258.19 g/mol
LogP2.88
Rot. Bonds6

About (E)-3-[(2R,3R)-3-(4,4,5,5,5-pentafluoropentyl)oxiran-2-yl]prop-2-enal

(E)-3-[(2R,3R)-3-(4,4,5,5,5-pentafluoropentyl)oxiran-2-yl]prop-2-enal (PubChem CID 22845980) has the molecular formula C10H11F5O2 and a molecular weight of 258.19 g/mol. Its IUPAC name is (E)-3-[(2R,3R)-3-(4,4,5,5,5-pentafluoropentyl)oxiran-2-yl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[(2R,3R)-3-(4,4,5,5,5-pentafluoropentyl)oxiran-2-yl]prop-2-enal
PubChem CID22845980
Molecular FormulaC10H11F5O2
Molecular Weight258.19 g/mol
Exact Mass258.07
IUPAC Name(E)-3-[(2R,3R)-3-(4,4,5,5,5-pentafluoropentyl)oxiran-2-yl]prop-2-enal
SMILESO=C/C=C/[C@H]1O[C@@H]1CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F5O2/c11-9(12,10(13,14)15)5-1-3-7-8(17-7)4-2-6-16/h2,4,6-8H,1,3,5H2/b4-2+/t7-,8-/m1/s1
InChIKeyHMHHCWCUYKSZEU-WGAMGKKUSA-N
XLogP2.88
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (E)-3-[(2R,3R)-3-(4,4,5,5,5-pentafluoropentyl)oxiran-2-yl]prop-2-enal with MolForge

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Related Compounds

4,5-Epoxy-2-decenal, (2E)-
CID 15825667
(2E)-3-(3-Pentyl-2-oxiranyl)-2-propenal
CID 5352429
trans-4,5-Epoxy-(E)-2-nonenal
CID 6428420
4,5-epoxy-(E)-2-decenal
CID 6427068
trans-4,5-epoxy-2(E)-Decenal
CID 526708
Methyl 5-(4-methoxyphenyl)-4-[(E)-phenyldiazenyl]-1H-pyrazole-3-carboxylate
CID 6431284
3-(3-Butyloxiran-2-yl)prop-2-enal
CID 527305
trans-4,5-Epoxy-(E)-nonenal
CID 5352491
4,5-Epoxy-(e)-2-dodecenal
CID 23025242
3-[(2S,3S)-3-pentyloxiran-2-yl]prop-2-enal
CID 53879188
cis-4,5-Epoxy-(e)-2-decenal
CID 11969087
(E)-3-[(2R,3R)-3-(3,3,3-trifluoropropyl)oxiran-2-yl]prop-2-enal
CID 22845979

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(2R,3R)-3-(4,4,5,5,5-pentafluoropentyl)oxiran-2-yl]prop-2-enal?
The IUPAC name of (E)-3-[(2R,3R)-3-(4,4,5,5,5-pentafluoropentyl)oxiran-2-yl]prop-2-enal (CID 22845980) is (E)-3-[(2R,3R)-3-(4,4,5,5,5-pentafluoropentyl)oxiran-2-yl]prop-2-enal.
What is the SMILES notation for (E)-3-[(2R,3R)-3-(4,4,5,5,5-pentafluoropentyl)oxiran-2-yl]prop-2-enal?
The canonical SMILES for (E)-3-[(2R,3R)-3-(4,4,5,5,5-pentafluoropentyl)oxiran-2-yl]prop-2-enal is O=C/C=C/[C@H]1O[C@@H]1CCCC(F)(F)C(F)(F)F.
What is the InChIKey of (E)-3-[(2R,3R)-3-(4,4,5,5,5-pentafluoropentyl)oxiran-2-yl]prop-2-enal?
The InChIKey is HMHHCWCUYKSZEU-WGAMGKKUSA-N. The full InChI is InChI=1S/C10H11F5O2/c11-9(12,10(13,14)15)5-1-3-7-8(17-7)4-2-6-16/h2,4,6-8H,1,3,5H2/b4-2+/t7-,8-/m1/s1.
What are the key properties of (E)-3-[(2R,3R)-3-(4,4,5,5,5-pentafluoropentyl)oxiran-2-yl]prop-2-enal?
(E)-3-[(2R,3R)-3-(4,4,5,5,5-pentafluoropentyl)oxiran-2-yl]prop-2-enal has a molecular weight of 258.19 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(2R,3R)-3-(4,4,5,5,5-pentafluoropentyl)oxiran-2-yl]prop-2-enal is sourced from PubChem (CID 22845980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).