(2R)-2-(3-fluorothiophen-2-yl)-2-(methylamino)cyclohexan-1-one

C11H14FNOS — CID 156803291

IUPAC(2R)-2-(3-fluorothiophen-2-yl)-2-(methylamino)cyclohexan-1-one
SMILESCN[C@]1(c2sccc2F)CCCCC1=O
InChIInChI=1S/C11H14FNOS/c1-13-11(6-3-2-4-9(11)14)10-8(12)5-7-15-10/h5,7,13H,2-4,6H2,1H3/t11-/m1/s1
InChIKeyQAILTOZJRBJZTO-LLVKDONJSA-N
MW227.30 g/mol
LogP2.44
Rot. Bonds2

About (2R)-2-(3-fluorothiophen-2-yl)-2-(methylamino)cyclohexan-1-one

(2R)-2-(3-fluorothiophen-2-yl)-2-(methylamino)cyclohexan-1-one (PubChem CID 156803291) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is (2R)-2-(3-fluorothiophen-2-yl)-2-(methylamino)cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-(3-fluorothiophen-2-yl)-2-(methylamino)cyclohexan-1-one
PubChem CID156803291
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name(2R)-2-(3-fluorothiophen-2-yl)-2-(methylamino)cyclohexan-1-one
SMILESCN[C@]1(c2sccc2F)CCCCC1=O
InChIInChI=1S/C11H14FNOS/c1-13-11(6-3-2-4-9(11)14)10-8(12)5-7-15-10/h5,7,13H,2-4,6H2,1H3/t11-/m1/s1
InChIKeyQAILTOZJRBJZTO-LLVKDONJSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluorothiophen-2-yl)-2-(methylamino)cyclohexan-1-one?
The IUPAC name of (2R)-2-(3-fluorothiophen-2-yl)-2-(methylamino)cyclohexan-1-one (CID 156803291) is (2R)-2-(3-fluorothiophen-2-yl)-2-(methylamino)cyclohexan-1-one.
What is the SMILES notation for (2R)-2-(3-fluorothiophen-2-yl)-2-(methylamino)cyclohexan-1-one?
The canonical SMILES for (2R)-2-(3-fluorothiophen-2-yl)-2-(methylamino)cyclohexan-1-one is CN[C@]1(c2sccc2F)CCCCC1=O.
What is the InChIKey of (2R)-2-(3-fluorothiophen-2-yl)-2-(methylamino)cyclohexan-1-one?
The InChIKey is QAILTOZJRBJZTO-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14FNOS/c1-13-11(6-3-2-4-9(11)14)10-8(12)5-7-15-10/h5,7,13H,2-4,6H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-(3-fluorothiophen-2-yl)-2-(methylamino)cyclohexan-1-one?
(2R)-2-(3-fluorothiophen-2-yl)-2-(methylamino)cyclohexan-1-one has a molecular weight of 227.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluorothiophen-2-yl)-2-(methylamino)cyclohexan-1-one is sourced from PubChem (CID 156803291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).