1-(2-fluorophenyl)-3-(3-methylbutan-2-ylsulfanyl)propan-2-one

C14H19FOS — CID 107752635

IUPAC1-(2-fluorophenyl)-3-(3-methylbutan-2-ylsulfanyl)propan-2-one
SMILESCC(C)C(C)SCC(=O)Cc1ccccc1F
InChIInChI=1S/C14H19FOS/c1-10(2)11(3)17-9-13(16)8-12-6-4-5-7-14(12)15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyCBDCMDQDCMYANB-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.71
Rot. Bonds6

About 1-(2-fluorophenyl)-3-(3-methylbutan-2-ylsulfanyl)propan-2-one

1-(2-fluorophenyl)-3-(3-methylbutan-2-ylsulfanyl)propan-2-one (PubChem CID 107752635) has the molecular formula C14H19FOS and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(3-methylbutan-2-ylsulfanyl)propan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(3-methylbutan-2-ylsulfanyl)propan-2-one
PubChem CID107752635
Molecular FormulaC14H19FOS
Molecular Weight254.37 g/mol
Exact Mass254.11
IUPAC Name1-(2-fluorophenyl)-3-(3-methylbutan-2-ylsulfanyl)propan-2-one
SMILESCC(C)C(C)SCC(=O)Cc1ccccc1F
InChIInChI=1S/C14H19FOS/c1-10(2)11(3)17-9-13(16)8-12-6-4-5-7-14(12)15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyCBDCMDQDCMYANB-UHFFFAOYSA-N
XLogP3.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(3-methylbutan-2-ylsulfanyl)propan-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-(3-methylbutan-2-ylsulfanyl)propan-2-one (CID 107752635) is 1-(2-fluorophenyl)-3-(3-methylbutan-2-ylsulfanyl)propan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(3-methylbutan-2-ylsulfanyl)propan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-(3-methylbutan-2-ylsulfanyl)propan-2-one is CC(C)C(C)SCC(=O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(3-methylbutan-2-ylsulfanyl)propan-2-one?
The InChIKey is CBDCMDQDCMYANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FOS/c1-10(2)11(3)17-9-13(16)8-12-6-4-5-7-14(12)15/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-3-(3-methylbutan-2-ylsulfanyl)propan-2-one?
1-(2-fluorophenyl)-3-(3-methylbutan-2-ylsulfanyl)propan-2-one has a molecular weight of 254.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(3-methylbutan-2-ylsulfanyl)propan-2-one is sourced from PubChem (CID 107752635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).