(1-ethylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate

C11H15F3O2 — CID 22600962

IUPAC(1-ethylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate
SMILESC=C(C(=O)OC1(CC)CCCC1)C(F)(F)F
InChIInChI=1S/C11H15F3O2/c1-3-10(6-4-5-7-10)16-9(15)8(2)11(12,13)14/h2-7H2,1H3
InChIKeyGUYBYECGVWQJBM-UHFFFAOYSA-N
MW236.23 g/mol
LogP3.37
Rot. Bonds3

About (1-ethylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate

(1-ethylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate (PubChem CID 22600962) has the molecular formula C11H15F3O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate
PubChem CID22600962
Molecular FormulaC11H15F3O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name(1-ethylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate
SMILESC=C(C(=O)OC1(CC)CCCC1)C(F)(F)F
InChIInChI=1S/C11H15F3O2/c1-3-10(6-4-5-7-10)16-9(15)8(2)11(12,13)14/h2-7H2,1H3
InChIKeyGUYBYECGVWQJBM-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate?
The IUPAC name of (1-ethylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate (CID 22600962) is (1-ethylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate.
What is the SMILES notation for (1-ethylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate?
The canonical SMILES for (1-ethylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate is C=C(C(=O)OC1(CC)CCCC1)C(F)(F)F.
What is the InChIKey of (1-ethylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate?
The InChIKey is GUYBYECGVWQJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O2/c1-3-10(6-4-5-7-10)16-9(15)8(2)11(12,13)14/h2-7H2,1H3.
What are the key properties of (1-ethylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate?
(1-ethylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate has a molecular weight of 236.23 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate is sourced from PubChem (CID 22600962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).