4-(dimethylamino)-4-(5-fluorothiophen-2-yl)cyclohexan-1-one

C12H16FNOS — CID 118662166

IUPAC4-(dimethylamino)-4-(5-fluorothiophen-2-yl)cyclohexan-1-one
SMILESCN(C)C1(c2ccc(F)s2)CCC(=O)CC1
InChIInChI=1S/C12H16FNOS/c1-14(2)12(7-5-9(15)6-8-12)10-3-4-11(13)16-10/h3-4H,5-8H2,1-2H3
InChIKeyNWFOQVWRYCHBJR-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.79
Rot. Bonds2

About 4-(dimethylamino)-4-(5-fluorothiophen-2-yl)cyclohexan-1-one

4-(dimethylamino)-4-(5-fluorothiophen-2-yl)cyclohexan-1-one (PubChem CID 118662166) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(dimethylamino)-4-(5-fluorothiophen-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(dimethylamino)-4-(5-fluorothiophen-2-yl)cyclohexan-1-one
PubChem CID118662166
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name4-(dimethylamino)-4-(5-fluorothiophen-2-yl)cyclohexan-1-one
SMILESCN(C)C1(c2ccc(F)s2)CCC(=O)CC1
InChIInChI=1S/C12H16FNOS/c1-14(2)12(7-5-9(15)6-8-12)10-3-4-11(13)16-10/h3-4H,5-8H2,1-2H3
InChIKeyNWFOQVWRYCHBJR-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-(5-fluorothiophen-2-yl)cyclohexan-1-one?
The IUPAC name of 4-(dimethylamino)-4-(5-fluorothiophen-2-yl)cyclohexan-1-one (CID 118662166) is 4-(dimethylamino)-4-(5-fluorothiophen-2-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(dimethylamino)-4-(5-fluorothiophen-2-yl)cyclohexan-1-one?
The canonical SMILES for 4-(dimethylamino)-4-(5-fluorothiophen-2-yl)cyclohexan-1-one is CN(C)C1(c2ccc(F)s2)CCC(=O)CC1.
What is the InChIKey of 4-(dimethylamino)-4-(5-fluorothiophen-2-yl)cyclohexan-1-one?
The InChIKey is NWFOQVWRYCHBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c1-14(2)12(7-5-9(15)6-8-12)10-3-4-11(13)16-10/h3-4H,5-8H2,1-2H3.
What are the key properties of 4-(dimethylamino)-4-(5-fluorothiophen-2-yl)cyclohexan-1-one?
4-(dimethylamino)-4-(5-fluorothiophen-2-yl)cyclohexan-1-one has a molecular weight of 241.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-(5-fluorothiophen-2-yl)cyclohexan-1-one is sourced from PubChem (CID 118662166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).