ethane;1,1,3,3,3-pentafluoroprop-1-en-2-yl cyclohexanecarboxylate

C12H17F5O2 — CID 91327981

IUPACethane;1,1,3,3,3-pentafluoroprop-1-en-2-yl cyclohexanecarboxylate
SMILESCC.O=C(OC(=C(F)F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H11F5O2.C2H6/c11-8(12)7(10(13,14)15)17-9(16)6-4-2-1-3-5-6;1-2/h6H,1-5H2;1-2H3
InChIKeyHZKZNWUOYQBTBS-UHFFFAOYSA-N
MW288.26 g/mol
LogP4.81
Rot. Bonds2

About ethane;1,1,3,3,3-pentafluoroprop-1-en-2-yl cyclohexanecarboxylate

ethane;1,1,3,3,3-pentafluoroprop-1-en-2-yl cyclohexanecarboxylate (PubChem CID 91327981) has the molecular formula C12H17F5O2 and a molecular weight of 288.26 g/mol. Its IUPAC name is ethane;1,1,3,3,3-pentafluoroprop-1-en-2-yl cyclohexanecarboxylate.

Molecular Properties

Compound Nameethane;1,1,3,3,3-pentafluoroprop-1-en-2-yl cyclohexanecarboxylate
PubChem CID91327981
Molecular FormulaC12H17F5O2
Molecular Weight288.26 g/mol
Exact Mass288.11
IUPAC Nameethane;1,1,3,3,3-pentafluoroprop-1-en-2-yl cyclohexanecarboxylate
SMILESCC.O=C(OC(=C(F)F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H11F5O2.C2H6/c11-8(12)7(10(13,14)15)17-9(16)6-4-2-1-3-5-6;1-2/h6H,1-5H2;1-2H3
InChIKeyHZKZNWUOYQBTBS-UHFFFAOYSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexanecarbonyloxy)prop-1-enyl cyclohexanecarboxylate
CID 58321887
ethane;methyl cyclohexanecarboxylate
CID 90871014
(4,4-difluoro-3,3-dimethylpentyl) cyclohexanecarboxylate
CID 118696020
tert-butyl cyclododecanecarboxylate
CID 154013086
(3-amino-2,2-difluoropropyl) cyclohexanecarboxylate
CID 157087017
3,3-difluorobutan-2-yl cyclohexanecarboxylate
CID 67967114
[1,1,1,3,3,3-hexafluoro-2-(methylsulfanylmethyl)propan-2-yl] cyclohexanecarboxylate
CID 170396336
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate
CID 59445735
cyclooctanecarboperoxoic acid
CID 90238548
1-cyclopentyl-2,2,2-trifluoroethanone
CID 15002815
2-(cyclononanecarbonyloxy)-1,1-difluoroethanesulfonic acid
CID 129070762

Frequently Asked Questions

What is the IUPAC name of ethane;1,1,3,3,3-pentafluoroprop-1-en-2-yl cyclohexanecarboxylate?
The IUPAC name of ethane;1,1,3,3,3-pentafluoroprop-1-en-2-yl cyclohexanecarboxylate (CID 91327981) is ethane;1,1,3,3,3-pentafluoroprop-1-en-2-yl cyclohexanecarboxylate.
What is the SMILES notation for ethane;1,1,3,3,3-pentafluoroprop-1-en-2-yl cyclohexanecarboxylate?
The canonical SMILES for ethane;1,1,3,3,3-pentafluoroprop-1-en-2-yl cyclohexanecarboxylate is CC.O=C(OC(=C(F)F)C(F)(F)F)C1CCCCC1.
What is the InChIKey of ethane;1,1,3,3,3-pentafluoroprop-1-en-2-yl cyclohexanecarboxylate?
The InChIKey is HZKZNWUOYQBTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5O2.C2H6/c11-8(12)7(10(13,14)15)17-9(16)6-4-2-1-3-5-6;1-2/h6H,1-5H2;1-2H3.
What are the key properties of ethane;1,1,3,3,3-pentafluoroprop-1-en-2-yl cyclohexanecarboxylate?
ethane;1,1,3,3,3-pentafluoroprop-1-en-2-yl cyclohexanecarboxylate has a molecular weight of 288.26 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,3,3,3-pentafluoroprop-1-en-2-yl cyclohexanecarboxylate is sourced from PubChem (CID 91327981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).