(4-fluorophenyl)-[(1S)-1,2,2,6-tetramethylcyclohexyl]methanone

C17H23FO — CID 71117226

IUPAC(4-fluorophenyl)-[(1S)-1,2,2,6-tetramethylcyclohexyl]methanone
SMILESCC1CCCC(C)(C)[C@@]1(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H23FO/c1-12-6-5-11-16(2,3)17(12,4)15(19)13-7-9-14(18)10-8-13/h7-10,12H,5-6,11H2,1-4H3/t12?,17-/m1/s1
InChIKeyMJADWTUNFXSBFJ-RGUGMKFQSA-N
MW262.37 g/mol
LogP4.86
Rot. Bonds2

About (4-fluorophenyl)-[(1S)-1,2,2,6-tetramethylcyclohexyl]methanone

(4-fluorophenyl)-[(1S)-1,2,2,6-tetramethylcyclohexyl]methanone (PubChem CID 71117226) has the molecular formula C17H23FO and a molecular weight of 262.37 g/mol. Its IUPAC name is (4-fluorophenyl)-[(1S)-1,2,2,6-tetramethylcyclohexyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(1S)-1,2,2,6-tetramethylcyclohexyl]methanone
PubChem CID71117226
Molecular FormulaC17H23FO
Molecular Weight262.37 g/mol
Exact Mass262.17
IUPAC Name(4-fluorophenyl)-[(1S)-1,2,2,6-tetramethylcyclohexyl]methanone
SMILESCC1CCCC(C)(C)[C@@]1(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H23FO/c1-12-6-5-11-16(2,3)17(12,4)15(19)13-7-9-14(18)10-8-13/h7-10,12H,5-6,11H2,1-4H3/t12?,17-/m1/s1
InChIKeyMJADWTUNFXSBFJ-RGUGMKFQSA-N
XLogP4.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(1S)-1,2,2,6-tetramethylcyclohexyl]methanone?
The IUPAC name of (4-fluorophenyl)-[(1S)-1,2,2,6-tetramethylcyclohexyl]methanone (CID 71117226) is (4-fluorophenyl)-[(1S)-1,2,2,6-tetramethylcyclohexyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(1S)-1,2,2,6-tetramethylcyclohexyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(1S)-1,2,2,6-tetramethylcyclohexyl]methanone is CC1CCCC(C)(C)[C@@]1(C)C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[(1S)-1,2,2,6-tetramethylcyclohexyl]methanone?
The InChIKey is MJADWTUNFXSBFJ-RGUGMKFQSA-N. The full InChI is InChI=1S/C17H23FO/c1-12-6-5-11-16(2,3)17(12,4)15(19)13-7-9-14(18)10-8-13/h7-10,12H,5-6,11H2,1-4H3/t12?,17-/m1/s1.
What are the key properties of (4-fluorophenyl)-[(1S)-1,2,2,6-tetramethylcyclohexyl]methanone?
(4-fluorophenyl)-[(1S)-1,2,2,6-tetramethylcyclohexyl]methanone has a molecular weight of 262.37 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(1S)-1,2,2,6-tetramethylcyclohexyl]methanone is sourced from PubChem (CID 71117226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).