1-cyclopropyl-2-(2-fluorophenyl)-2-(5-hydroxythiolan-2-yl)ethanone

C15H17FO2S — CID 140994266

IUPAC1-cyclopropyl-2-(2-fluorophenyl)-2-(5-hydroxythiolan-2-yl)ethanone
SMILESO=C(C1CC1)C(c1ccccc1F)C1CCC(O)S1
InChIInChI=1S/C15H17FO2S/c16-11-4-2-1-3-10(11)14(15(18)9-5-6-9)12-7-8-13(17)19-12/h1-4,9,12-14,17H,5-8H2
InChIKeyWKXLUYUENYLBCF-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.10
Rot. Bonds4

About 1-cyclopropyl-2-(2-fluorophenyl)-2-(5-hydroxythiolan-2-yl)ethanone

1-cyclopropyl-2-(2-fluorophenyl)-2-(5-hydroxythiolan-2-yl)ethanone (PubChem CID 140994266) has the molecular formula C15H17FO2S and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-fluorophenyl)-2-(5-hydroxythiolan-2-yl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-fluorophenyl)-2-(5-hydroxythiolan-2-yl)ethanone
PubChem CID140994266
Molecular FormulaC15H17FO2S
Molecular Weight280.36 g/mol
Exact Mass280.09
IUPAC Name1-cyclopropyl-2-(2-fluorophenyl)-2-(5-hydroxythiolan-2-yl)ethanone
SMILESO=C(C1CC1)C(c1ccccc1F)C1CCC(O)S1
InChIInChI=1S/C15H17FO2S/c16-11-4-2-1-3-10(11)14(15(18)9-5-6-9)12-7-8-13(17)19-12/h1-4,9,12-14,17H,5-8H2
InChIKeyWKXLUYUENYLBCF-UHFFFAOYSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(2-fluorophenyl)-2-(methoxymethoxy)ethanone
CID 71488457
1-cyclopropyl-2-(2-fluorophenyl)-2-[4-(sulfanylmethyl)piperidin-1-yl]ethanone;hydrochloride
CID 18703832
2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-hydroxypiperidin-3-ylidene]acetic acid
CID 54400228
4-[amino-(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 116938812
(7aR)-5-[(1S)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one
CID 86318463
1-cyclopropyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-fluorophenyl)ethanone;nitric acid
CID 52916027
5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one;hydrobromide
CID 66764663
1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-(furan-2-ylmethylidene)-4-hydroxypiperidin-1-yl]ethanone
CID 68766575
1-cyclopropyl-2-(2-fluorophenyl)-2-(2-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride
CID 68895421
N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide
CID 82114013
[5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] carbonochloridate
CID 87515109
[5-[(1S)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
CID 51371330

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-fluorophenyl)-2-(5-hydroxythiolan-2-yl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(2-fluorophenyl)-2-(5-hydroxythiolan-2-yl)ethanone (CID 140994266) is 1-cyclopropyl-2-(2-fluorophenyl)-2-(5-hydroxythiolan-2-yl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(2-fluorophenyl)-2-(5-hydroxythiolan-2-yl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(2-fluorophenyl)-2-(5-hydroxythiolan-2-yl)ethanone is O=C(C1CC1)C(c1ccccc1F)C1CCC(O)S1.
What is the InChIKey of 1-cyclopropyl-2-(2-fluorophenyl)-2-(5-hydroxythiolan-2-yl)ethanone?
The InChIKey is WKXLUYUENYLBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO2S/c16-11-4-2-1-3-10(11)14(15(18)9-5-6-9)12-7-8-13(17)19-12/h1-4,9,12-14,17H,5-8H2.
What are the key properties of 1-cyclopropyl-2-(2-fluorophenyl)-2-(5-hydroxythiolan-2-yl)ethanone?
1-cyclopropyl-2-(2-fluorophenyl)-2-(5-hydroxythiolan-2-yl)ethanone has a molecular weight of 280.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-fluorophenyl)-2-(5-hydroxythiolan-2-yl)ethanone is sourced from PubChem (CID 140994266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).