(4S)-1-tert-butyl-4-fluoropiperidin-2-one

C9H16FNO — CID 118581532

IUPAC(4S)-1-tert-butyl-4-fluoropiperidin-2-one
SMILESCC(C)(C)N1CC[C@H](F)CC1=O
InChIInChI=1S/C9H16FNO/c1-9(2,3)11-5-4-7(10)6-8(11)12/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyOANVOUSEMNKUAN-ZETCQYMHSA-N
MW173.23 g/mol
LogP1.75
Rot. Bonds

About (4S)-1-tert-butyl-4-fluoropiperidin-2-one

(4S)-1-tert-butyl-4-fluoropiperidin-2-one (PubChem CID 118581532) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (4S)-1-tert-butyl-4-fluoropiperidin-2-one.

Molecular Properties

Compound Name(4S)-1-tert-butyl-4-fluoropiperidin-2-one
PubChem CID118581532
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(4S)-1-tert-butyl-4-fluoropiperidin-2-one
SMILESCC(C)(C)N1CC[C@H](F)CC1=O
InChIInChI=1S/C9H16FNO/c1-9(2,3)11-5-4-7(10)6-8(11)12/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyOANVOUSEMNKUAN-ZETCQYMHSA-N
XLogP1.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-tert-butyl-4-fluoropiperidin-2-one?
The IUPAC name of (4S)-1-tert-butyl-4-fluoropiperidin-2-one (CID 118581532) is (4S)-1-tert-butyl-4-fluoropiperidin-2-one.
What is the SMILES notation for (4S)-1-tert-butyl-4-fluoropiperidin-2-one?
The canonical SMILES for (4S)-1-tert-butyl-4-fluoropiperidin-2-one is CC(C)(C)N1CC[C@H](F)CC1=O.
What is the InChIKey of (4S)-1-tert-butyl-4-fluoropiperidin-2-one?
The InChIKey is OANVOUSEMNKUAN-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16FNO/c1-9(2,3)11-5-4-7(10)6-8(11)12/h7H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (4S)-1-tert-butyl-4-fluoropiperidin-2-one?
(4S)-1-tert-butyl-4-fluoropiperidin-2-one has a molecular weight of 173.23 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-tert-butyl-4-fluoropiperidin-2-one is sourced from PubChem (CID 118581532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).