(2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxyazetidin-1-yl)methanone

C14H24FNO2 — CID 175488941

IUPAC(2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESCCC(C)C1CCC(F)CC1C(=O)N1CC(O)C1
InChIInChI=1S/C14H24FNO2/c1-3-9(2)12-5-4-10(15)6-13(12)14(18)16-7-11(17)8-16/h9-13,17H,3-8H2,1-2H3
InChIKeyIFLYSBZFYCLDLX-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.99
Rot. Bonds3

About (2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxyazetidin-1-yl)methanone

(2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 175488941) has the molecular formula C14H24FNO2 and a molecular weight of 257.35 g/mol. Its IUPAC name is (2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxyazetidin-1-yl)methanone
PubChem CID175488941
Molecular FormulaC14H24FNO2
Molecular Weight257.35 g/mol
Exact Mass257.18
IUPAC Name(2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESCCC(C)C1CCC(F)CC1C(=O)N1CC(O)C1
InChIInChI=1S/C14H24FNO2/c1-3-9(2)12-5-4-10(15)6-13(12)14(18)16-7-11(17)8-16/h9-13,17H,3-8H2,1-2H3
InChIKeyIFLYSBZFYCLDLX-UHFFFAOYSA-N
XLogP1.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxyazetidin-1-yl)methanone (CID 175488941) is (2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxyazetidin-1-yl)methanone is CCC(C)C1CCC(F)CC1C(=O)N1CC(O)C1.
What is the InChIKey of (2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is IFLYSBZFYCLDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO2/c1-3-9(2)12-5-4-10(15)6-13(12)14(18)16-7-11(17)8-16/h9-13,17H,3-8H2,1-2H3.
What are the key properties of (2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxyazetidin-1-yl)methanone?
(2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 257.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-yl-5-fluorocyclohexyl)-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 175488941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).