(Z)-2-chloro-1-ethoxy-5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-one

C8H7ClF6O2 — CID 23236621

IUPAC(Z)-2-chloro-1-ethoxy-5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-one
SMILESCCO/C=C(\Cl)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7ClF6O2/c1-2-17-3-4(9)5(16)6(7(10,11)12)8(13,14)15/h3,6H,2H2,1H3/b4-3-
InChIKeyGNPXDUBEGIZFCH-ARJAWSKDSA-N
MW284.58 g/mol
LogP3.41
Rot. Bonds4

About (Z)-2-chloro-1-ethoxy-5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-one

(Z)-2-chloro-1-ethoxy-5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-one (PubChem CID 23236621) has the molecular formula C8H7ClF6O2 and a molecular weight of 284.58 g/mol. Its IUPAC name is (Z)-2-chloro-1-ethoxy-5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-one.

Molecular Properties

Compound Name(Z)-2-chloro-1-ethoxy-5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-one
PubChem CID23236621
Molecular FormulaC8H7ClF6O2
Molecular Weight284.58 g/mol
Exact Mass284.00
IUPAC Name(Z)-2-chloro-1-ethoxy-5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-one
SMILESCCO/C=C(\Cl)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7ClF6O2/c1-2-17-3-4(9)5(16)6(7(10,11)12)8(13,14)15/h3,6H,2H2,1H3/b4-3-
InChIKeyGNPXDUBEGIZFCH-ARJAWSKDSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.58
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-1-ethoxy-4,4,5,5,5-pentafluoropent-1-en-3-one
CID 54181035
(Z)-2-chloro-1-ethoxy-4,4,5,5,5-pentafluoropent-1-en-3-one
CID 88520228
(Z)-2-chloro-1-ethoxy-4,4,5,5,5-pentafluoropent-1-en-3-one;(Z)-3-chloro-1,1,1-trifluoro-4-methoxybut-3-en-2-one
CID 88617184
(E)-4-chloro-1-ethoxy-4,5,5,5-tetrafluoropent-1-en-3-one
CID 117835872
4-Chloro-1-ethoxy-4,5,5,5-tetrafluoropent-1-en-3-one
CID 123496761
(3E)-1-chloro-3-(ethoxymethylidene)-1,1,5,5,5-pentafluoropentane-2,4-dione
CID 137441606
(3Z)-1-chloro-3-(ethoxymethylidene)-1,1,5,5,5-pentafluoropentane-2,4-dione
CID 137454226
1-Chloro-3-(ethoxymethylidene)-1,1,5,5,5-pentafluoropentane-2,4-dione
CID 145774068
2-Chloro-1-ethoxy-4,4,5,5,5-pentafluoropent-1-en-3-one;3-chloro-1,1,1-trifluoro-4-methoxybut-3-en-2-one
CID 159149214

Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-1-ethoxy-5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-one?
The IUPAC name of (Z)-2-chloro-1-ethoxy-5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-one (CID 23236621) is (Z)-2-chloro-1-ethoxy-5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-one.
What is the SMILES notation for (Z)-2-chloro-1-ethoxy-5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-one?
The canonical SMILES for (Z)-2-chloro-1-ethoxy-5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-one is CCO/C=C(\Cl)C(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-2-chloro-1-ethoxy-5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-one?
The InChIKey is GNPXDUBEGIZFCH-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H7ClF6O2/c1-2-17-3-4(9)5(16)6(7(10,11)12)8(13,14)15/h3,6H,2H2,1H3/b4-3-.
What are the key properties of (Z)-2-chloro-1-ethoxy-5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-one?
(Z)-2-chloro-1-ethoxy-5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-one has a molecular weight of 284.58 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-1-ethoxy-5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-one is sourced from PubChem (CID 23236621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).