(2S)-2-(2-fluorophenyl)-2-[(2-methylphenyl)sulfanylmethyl]cyclopentan-1-one

C19H19FOS — CID 146167919

IUPAC(2S)-2-(2-fluorophenyl)-2-[(2-methylphenyl)sulfanylmethyl]cyclopentan-1-one
SMILESCc1ccccc1SC[C@]1(c2ccccc2F)CCCC1=O
InChIInChI=1S/C19H19FOS/c1-14-7-2-5-10-17(14)22-13-19(12-6-11-18(19)21)15-8-3-4-9-16(15)20/h2-5,7-10H,6,11-13H2,1H3/t19-/m0/s1
InChIKeyVCIYMJDGUOBBFW-IBGZPJMESA-N
MW314.43 g/mol
LogP4.92
Rot. Bonds4

About (2S)-2-(2-fluorophenyl)-2-[(2-methylphenyl)sulfanylmethyl]cyclopentan-1-one

(2S)-2-(2-fluorophenyl)-2-[(2-methylphenyl)sulfanylmethyl]cyclopentan-1-one (PubChem CID 146167919) has the molecular formula C19H19FOS and a molecular weight of 314.43 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenyl)-2-[(2-methylphenyl)sulfanylmethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenyl)-2-[(2-methylphenyl)sulfanylmethyl]cyclopentan-1-one
PubChem CID146167919
Molecular FormulaC19H19FOS
Molecular Weight314.43 g/mol
Exact Mass314.11
IUPAC Name(2S)-2-(2-fluorophenyl)-2-[(2-methylphenyl)sulfanylmethyl]cyclopentan-1-one
SMILESCc1ccccc1SC[C@]1(c2ccccc2F)CCCC1=O
InChIInChI=1S/C19H19FOS/c1-14-7-2-5-10-17(14)22-13-19(12-6-11-18(19)21)15-8-3-4-9-16(15)20/h2-5,7-10H,6,11-13H2,1H3/t19-/m0/s1
InChIKeyVCIYMJDGUOBBFW-IBGZPJMESA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenyl)-2-[(2-methylphenyl)sulfanylmethyl]cyclopentan-1-one?
The IUPAC name of (2S)-2-(2-fluorophenyl)-2-[(2-methylphenyl)sulfanylmethyl]cyclopentan-1-one (CID 146167919) is (2S)-2-(2-fluorophenyl)-2-[(2-methylphenyl)sulfanylmethyl]cyclopentan-1-one.
What is the SMILES notation for (2S)-2-(2-fluorophenyl)-2-[(2-methylphenyl)sulfanylmethyl]cyclopentan-1-one?
The canonical SMILES for (2S)-2-(2-fluorophenyl)-2-[(2-methylphenyl)sulfanylmethyl]cyclopentan-1-one is Cc1ccccc1SC[C@]1(c2ccccc2F)CCCC1=O.
What is the InChIKey of (2S)-2-(2-fluorophenyl)-2-[(2-methylphenyl)sulfanylmethyl]cyclopentan-1-one?
The InChIKey is VCIYMJDGUOBBFW-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19FOS/c1-14-7-2-5-10-17(14)22-13-19(12-6-11-18(19)21)15-8-3-4-9-16(15)20/h2-5,7-10H,6,11-13H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenyl)-2-[(2-methylphenyl)sulfanylmethyl]cyclopentan-1-one?
(2S)-2-(2-fluorophenyl)-2-[(2-methylphenyl)sulfanylmethyl]cyclopentan-1-one has a molecular weight of 314.43 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenyl)-2-[(2-methylphenyl)sulfanylmethyl]cyclopentan-1-one is sourced from PubChem (CID 146167919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).