(E)-5,5,5-trifluoropent-3-en-2-one

C10H10F6O2 — CID 162111874

IUPAC(E)-5,5,5-trifluoropent-3-en-2-one
SMILESCC(=O)/C=C/C(F)(F)F.CC(=O)/C=C/C(F)(F)F
InChIInChI=1S/2C5H5F3O/c2*1-4(9)2-3-5(6,7)8/h2*2-3H,1H3/b2*3-2+
InChIKeyZGGJREQUGVGSSD-XQHVRGAUSA-N
MW276.18 g/mol
LogP3.39
Rot. Bonds2

About (E)-5,5,5-trifluoropent-3-en-2-one

(E)-5,5,5-trifluoropent-3-en-2-one (PubChem CID 162111874) has the molecular formula C10H10F6O2 and a molecular weight of 276.18 g/mol. Its IUPAC name is (E)-5,5,5-trifluoropent-3-en-2-one.

Molecular Properties

Compound Name(E)-5,5,5-trifluoropent-3-en-2-one
PubChem CID162111874
Molecular FormulaC10H10F6O2
Molecular Weight276.18 g/mol
Exact Mass276.06
IUPAC Name(E)-5,5,5-trifluoropent-3-en-2-one
SMILESCC(=O)/C=C/C(F)(F)F.CC(=O)/C=C/C(F)(F)F
InChIInChI=1S/2C5H5F3O/c2*1-4(9)2-3-5(6,7)8/h2*2-3H,1H3/b2*3-2+
InChIKeyZGGJREQUGVGSSD-XQHVRGAUSA-N
XLogP3.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5,5-dimethylhex-3-en-2-one
CID 59028439
(3E)-5,5,5-trifluoro-2-methylpenta-1,3-diene
CID 102247567
5,5,5-trifluoro-2-oxopent-3-enal
CID 175007710
(E)-hex-3-ene-2,5-dione
CID 5363639
(E)-5,5,6,6-tetramethylhept-3-en-2-one
CID 12612667
4,4,4-trifluorobut-2-enoyl 4,4,4-trifluorobut-2-enoate
CID 87154543
carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene
CID 160871889
5-hydroperoxy-5-methylhex-3-en-2-one
CID 165357980
(2E,5E)-1,1,1-trifluoronona-2,5-dien-4-one
CID 51357228
1,1,1-trifluoronon-2-en-4-one
CID 173295293
(3E)-5,5,8-trimethylnona-3,6,7-trien-2-one
CID 5363803
pent-3-en-2-one
CID 12248

Frequently Asked Questions

What is the IUPAC name of (E)-5,5,5-trifluoropent-3-en-2-one?
The IUPAC name of (E)-5,5,5-trifluoropent-3-en-2-one (CID 162111874) is (E)-5,5,5-trifluoropent-3-en-2-one.
What is the SMILES notation for (E)-5,5,5-trifluoropent-3-en-2-one?
The canonical SMILES for (E)-5,5,5-trifluoropent-3-en-2-one is CC(=O)/C=C/C(F)(F)F.CC(=O)/C=C/C(F)(F)F.
What is the InChIKey of (E)-5,5,5-trifluoropent-3-en-2-one?
The InChIKey is ZGGJREQUGVGSSD-XQHVRGAUSA-N. The full InChI is InChI=1S/2C5H5F3O/c2*1-4(9)2-3-5(6,7)8/h2*2-3H,1H3/b2*3-2+.
What are the key properties of (E)-5,5,5-trifluoropent-3-en-2-one?
(E)-5,5,5-trifluoropent-3-en-2-one has a molecular weight of 276.18 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5,5-trifluoropent-3-en-2-one is sourced from PubChem (CID 162111874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).