(1-ethylcyclopentyl) 2,3-dimethyl-2-(trifluoromethyl)butanoate

C14H23F3O2 — CID 70839043

IUPAC(1-ethylcyclopentyl) 2,3-dimethyl-2-(trifluoromethyl)butanoate
SMILESCCC1(OC(=O)C(C)(C(C)C)C(F)(F)F)CCCC1
InChIInChI=1S/C14H23F3O2/c1-5-13(8-6-7-9-13)19-11(18)12(4,10(2)3)14(15,16)17/h10H,5-9H2,1-4H3
InChIKeyLHEUTVAWVNNONN-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.48
Rot. Bonds4

About (1-ethylcyclopentyl) 2,3-dimethyl-2-(trifluoromethyl)butanoate

(1-ethylcyclopentyl) 2,3-dimethyl-2-(trifluoromethyl)butanoate (PubChem CID 70839043) has the molecular formula C14H23F3O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 2,3-dimethyl-2-(trifluoromethyl)butanoate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 2,3-dimethyl-2-(trifluoromethyl)butanoate
PubChem CID70839043
Molecular FormulaC14H23F3O2
Molecular Weight280.33 g/mol
Exact Mass280.17
IUPAC Name(1-ethylcyclopentyl) 2,3-dimethyl-2-(trifluoromethyl)butanoate
SMILESCCC1(OC(=O)C(C)(C(C)C)C(F)(F)F)CCCC1
InChIInChI=1S/C14H23F3O2/c1-5-13(8-6-7-9-13)19-11(18)12(4,10(2)3)14(15,16)17/h10H,5-9H2,1-4H3
InChIKeyLHEUTVAWVNNONN-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 2,3-dimethyl-2-(trifluoromethyl)butanoate?
The IUPAC name of (1-ethylcyclopentyl) 2,3-dimethyl-2-(trifluoromethyl)butanoate (CID 70839043) is (1-ethylcyclopentyl) 2,3-dimethyl-2-(trifluoromethyl)butanoate.
What is the SMILES notation for (1-ethylcyclopentyl) 2,3-dimethyl-2-(trifluoromethyl)butanoate?
The canonical SMILES for (1-ethylcyclopentyl) 2,3-dimethyl-2-(trifluoromethyl)butanoate is CCC1(OC(=O)C(C)(C(C)C)C(F)(F)F)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl) 2,3-dimethyl-2-(trifluoromethyl)butanoate?
The InChIKey is LHEUTVAWVNNONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O2/c1-5-13(8-6-7-9-13)19-11(18)12(4,10(2)3)14(15,16)17/h10H,5-9H2,1-4H3.
What are the key properties of (1-ethylcyclopentyl) 2,3-dimethyl-2-(trifluoromethyl)butanoate?
(1-ethylcyclopentyl) 2,3-dimethyl-2-(trifluoromethyl)butanoate has a molecular weight of 280.33 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 2,3-dimethyl-2-(trifluoromethyl)butanoate is sourced from PubChem (CID 70839043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).