2-cycloheptyl-2-(2-fluorophenyl)sulfanylacetic acid

C15H19FO2S — CID 82932142

IUPAC2-cycloheptyl-2-(2-fluorophenyl)sulfanylacetic acid
SMILESO=C(O)C(Sc1ccccc1F)C1CCCCCC1
InChIInChI=1S/C15H19FO2S/c16-12-9-5-6-10-13(12)19-14(15(17)18)11-7-3-1-2-4-8-11/h5-6,9-11,14H,1-4,7-8H2,(H,17,18)
InChIKeyUXMOJEFZGHGUDJ-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.34
Rot. Bonds4

About 2-cycloheptyl-2-(2-fluorophenyl)sulfanylacetic acid

2-cycloheptyl-2-(2-fluorophenyl)sulfanylacetic acid (PubChem CID 82932142) has the molecular formula C15H19FO2S and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-cycloheptyl-2-(2-fluorophenyl)sulfanylacetic acid.

Molecular Properties

Compound Name2-cycloheptyl-2-(2-fluorophenyl)sulfanylacetic acid
PubChem CID82932142
Molecular FormulaC15H19FO2S
Molecular Weight282.38 g/mol
Exact Mass282.11
IUPAC Name2-cycloheptyl-2-(2-fluorophenyl)sulfanylacetic acid
SMILESO=C(O)C(Sc1ccccc1F)C1CCCCCC1
InChIInChI=1S/C15H19FO2S/c16-12-9-5-6-10-13(12)19-14(15(17)18)11-7-3-1-2-4-8-11/h5-6,9-11,14H,1-4,7-8H2,(H,17,18)
InChIKeyUXMOJEFZGHGUDJ-UHFFFAOYSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone
CID 82931688
2-cyclohexyl-2-propan-2-ylsulfanylacetic acid
CID 82932331
2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclohexane-1-carboxylic acid
CID 64812300
2-cyclohexyl-2-(2-hydroxyphenyl)acetic acid
CID 22178850
1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one
CID 112778414
2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 94414053
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386
1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene
CID 63544199
2-cyclopentyl-3-oxo-3-phenylpropanoic acid
CID 174799211
N-cyclopentyl-N-ethyl-2-(2-fluorophenyl)sulfanylacetamide
CID 134060793
1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid
CID 43441149
2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid
CID 117245498

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-2-(2-fluorophenyl)sulfanylacetic acid?
The IUPAC name of 2-cycloheptyl-2-(2-fluorophenyl)sulfanylacetic acid (CID 82932142) is 2-cycloheptyl-2-(2-fluorophenyl)sulfanylacetic acid.
What is the SMILES notation for 2-cycloheptyl-2-(2-fluorophenyl)sulfanylacetic acid?
The canonical SMILES for 2-cycloheptyl-2-(2-fluorophenyl)sulfanylacetic acid is O=C(O)C(Sc1ccccc1F)C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-2-(2-fluorophenyl)sulfanylacetic acid?
The InChIKey is UXMOJEFZGHGUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2S/c16-12-9-5-6-10-13(12)19-14(15(17)18)11-7-3-1-2-4-8-11/h5-6,9-11,14H,1-4,7-8H2,(H,17,18).
What are the key properties of 2-cycloheptyl-2-(2-fluorophenyl)sulfanylacetic acid?
2-cycloheptyl-2-(2-fluorophenyl)sulfanylacetic acid has a molecular weight of 282.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-2-(2-fluorophenyl)sulfanylacetic acid is sourced from PubChem (CID 82932142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).