4-ethyl-4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexane-1-carboxylic acid

C14H17F3O2S — CID 174663851

IUPAC4-ethyl-4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexane-1-carboxylic acid
SMILESCCC1(c2sccc2C(F)(F)F)CCC(C(=O)O)CC1
InChIInChI=1S/C14H17F3O2S/c1-2-13(6-3-9(4-7-13)12(18)19)11-10(5-8-20-11)14(15,16)17/h5,8-9H,2-4,6-7H2,1H3,(H,18,19)
InChIKeyGFLAAZLUGFFTLH-UHFFFAOYSA-N
MW306.35 g/mol
LogP4.69
Rot. Bonds3

About 4-ethyl-4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexane-1-carboxylic acid

4-ethyl-4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexane-1-carboxylic acid (PubChem CID 174663851) has the molecular formula C14H17F3O2S and a molecular weight of 306.35 g/mol. Its IUPAC name is 4-ethyl-4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexane-1-carboxylic acid
PubChem CID174663851
Molecular FormulaC14H17F3O2S
Molecular Weight306.35 g/mol
Exact Mass306.09
IUPAC Name4-ethyl-4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexane-1-carboxylic acid
SMILESCCC1(c2sccc2C(F)(F)F)CCC(C(=O)O)CC1
InChIInChI=1S/C14H17F3O2S/c1-2-13(6-3-9(4-7-13)12(18)19)11-10(5-8-20-11)14(15,16)17/h5,8-9H,2-4,6-7H2,1H3,(H,18,19)
InChIKeyGFLAAZLUGFFTLH-UHFFFAOYSA-N
XLogP4.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexane-1-carboxylic acid (CID 174663851) is 4-ethyl-4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexane-1-carboxylic acid is CCC1(c2sccc2C(F)(F)F)CCC(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexane-1-carboxylic acid?
The InChIKey is GFLAAZLUGFFTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O2S/c1-2-13(6-3-9(4-7-13)12(18)19)11-10(5-8-20-11)14(15,16)17/h5,8-9H,2-4,6-7H2,1H3,(H,18,19).
What are the key properties of 4-ethyl-4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexane-1-carboxylic acid?
4-ethyl-4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexane-1-carboxylic acid has a molecular weight of 306.35 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-[3-(trifluoromethyl)thiophen-2-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 174663851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).