ethyl 3-(4-fluorophenyl)sulfinylcyclopentane-1-carboxylate

C14H17FO3S — CID 134510858

IUPACethyl 3-(4-fluorophenyl)sulfinylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC(S(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H17FO3S/c1-2-18-14(16)10-3-6-13(9-10)19(17)12-7-4-11(15)5-8-12/h4-5,7-8,10,13H,2-3,6,9H2,1H3
InChIKeyVWEUQCCHWRFVBU-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.67
Rot. Bonds4

About ethyl 3-(4-fluorophenyl)sulfinylcyclopentane-1-carboxylate

ethyl 3-(4-fluorophenyl)sulfinylcyclopentane-1-carboxylate (PubChem CID 134510858) has the molecular formula C14H17FO3S and a molecular weight of 284.35 g/mol. Its IUPAC name is ethyl 3-(4-fluorophenyl)sulfinylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-fluorophenyl)sulfinylcyclopentane-1-carboxylate
PubChem CID134510858
Molecular FormulaC14H17FO3S
Molecular Weight284.35 g/mol
Exact Mass284.09
IUPAC Nameethyl 3-(4-fluorophenyl)sulfinylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC(S(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H17FO3S/c1-2-18-14(16)10-3-6-13(9-10)19(17)12-7-4-11(15)5-8-12/h4-5,7-8,10,13H,2-3,6,9H2,1H3
InChIKeyVWEUQCCHWRFVBU-UHFFFAOYSA-N
XLogP2.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 66930159
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
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CID 172760968
ethyl 3,4-dihydroxycyclohexane-1-carboxylate
CID 134861534
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
trans-ethyl (1R,3R)-3-ethoxycyclopentane-1-carboxylate
CID 125113084
trans-ethyl (1S,3S)-3-ethoxycyclopentane-1-carboxylate
CID 125113083
ethyl 4-(2-amino-4-fluoroanilino)cyclohexane-1-carboxylate
CID 67213320
ethyl (1S,3R,4S)-4-amino-3-fluorocyclohexane-1-carboxylate
CID 172915911
ethyl 2-(4-fluorophenyl)sulfinylbutanoate
CID 64661886
ethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate
CID 131868991
ethyl 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8931583

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-fluorophenyl)sulfinylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-(4-fluorophenyl)sulfinylcyclopentane-1-carboxylate (CID 134510858) is ethyl 3-(4-fluorophenyl)sulfinylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-(4-fluorophenyl)sulfinylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-(4-fluorophenyl)sulfinylcyclopentane-1-carboxylate is CCOC(=O)C1CCC(S(=O)c2ccc(F)cc2)C1.
What is the InChIKey of ethyl 3-(4-fluorophenyl)sulfinylcyclopentane-1-carboxylate?
The InChIKey is VWEUQCCHWRFVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3S/c1-2-18-14(16)10-3-6-13(9-10)19(17)12-7-4-11(15)5-8-12/h4-5,7-8,10,13H,2-3,6,9H2,1H3.
What are the key properties of ethyl 3-(4-fluorophenyl)sulfinylcyclopentane-1-carboxylate?
ethyl 3-(4-fluorophenyl)sulfinylcyclopentane-1-carboxylate has a molecular weight of 284.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-fluorophenyl)sulfinylcyclopentane-1-carboxylate is sourced from PubChem (CID 134510858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).