1-(2-fluorophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one

C14H13FOS2 — CID 66053237

IUPAC1-(2-fluorophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one
SMILESO=C(CCc1cccs1)CSc1ccccc1F
InChIInChI=1S/C14H13FOS2/c15-13-5-1-2-6-14(13)18-10-11(16)7-8-12-4-3-9-17-12/h1-6,9H,7-8,10H2
InChIKeyUFPWMVRADMVCQO-UHFFFAOYSA-N
MW280.39 g/mol
LogP4.18
Rot. Bonds6

About 1-(2-fluorophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one

1-(2-fluorophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one (PubChem CID 66053237) has the molecular formula C14H13FOS2 and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one
PubChem CID66053237
Molecular FormulaC14H13FOS2
Molecular Weight280.39 g/mol
Exact Mass280.04
IUPAC Name1-(2-fluorophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one
SMILESO=C(CCc1cccs1)CSc1ccccc1F
InChIInChI=1S/C14H13FOS2/c15-13-5-1-2-6-14(13)18-10-11(16)7-8-12-4-3-9-17-12/h1-6,9H,7-8,10H2
InChIKeyUFPWMVRADMVCQO-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one
CID 66144425
1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one
CID 65142383
1-tert-butylsulfanyl-4-thiophen-2-ylbutan-2-one
CID 65133641
5-methyl-1-thiophen-2-ylhexan-3-one
CID 63776280
(2-fluorophenyl) 4-thiophen-2-ylbutanoate
CID 78777100
1-(3,5-difluorophenyl)-4-thiophen-2-ylbutan-2-one
CID 55236513
4-(2-fluorophenyl)sulfanyl-1-thiophen-2-ylbutan-1-one
CID 43411995
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386
2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 43303565
1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-one
CID 62502351
5-methyl-1-thiophen-2-ylheptan-3-one
CID 114973234
1-(2-chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-1-one
CID 114973239

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one (CID 66053237) is 1-(2-fluorophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one is O=C(CCc1cccs1)CSc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one?
The InChIKey is UFPWMVRADMVCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FOS2/c15-13-5-1-2-6-14(13)18-10-11(16)7-8-12-4-3-9-17-12/h1-6,9H,7-8,10H2.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one?
1-(2-fluorophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one has a molecular weight of 280.39 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanyl-4-thiophen-2-ylbutan-2-one is sourced from PubChem (CID 66053237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).