(2-tert-butylazetidin-1-yl)-(4,4-difluorocyclohexyl)methanone

C14H23F2NO — CID 67953046

IUPAC(2-tert-butylazetidin-1-yl)-(4,4-difluorocyclohexyl)methanone
SMILESCC(C)(C)C1CCN1C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C14H23F2NO/c1-13(2,3)11-6-9-17(11)12(18)10-4-7-14(15,16)8-5-10/h10-11H,4-9H2,1-3H3
InChIKeyNZHFENLBHRPXOF-UHFFFAOYSA-N
MW259.34 g/mol
LogP3.46
Rot. Bonds1

About (2-tert-butylazetidin-1-yl)-(4,4-difluorocyclohexyl)methanone

(2-tert-butylazetidin-1-yl)-(4,4-difluorocyclohexyl)methanone (PubChem CID 67953046) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is (2-tert-butylazetidin-1-yl)-(4,4-difluorocyclohexyl)methanone.

Molecular Properties

Compound Name(2-tert-butylazetidin-1-yl)-(4,4-difluorocyclohexyl)methanone
PubChem CID67953046
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name(2-tert-butylazetidin-1-yl)-(4,4-difluorocyclohexyl)methanone
SMILESCC(C)(C)C1CCN1C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C14H23F2NO/c1-13(2,3)11-6-9-17(11)12(18)10-4-7-14(15,16)8-5-10/h10-11H,4-9H2,1-3H3
InChIKeyNZHFENLBHRPXOF-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butylazetidin-1-yl)-(4,4-difluorocyclohexyl)methanone?
The IUPAC name of (2-tert-butylazetidin-1-yl)-(4,4-difluorocyclohexyl)methanone (CID 67953046) is (2-tert-butylazetidin-1-yl)-(4,4-difluorocyclohexyl)methanone.
What is the SMILES notation for (2-tert-butylazetidin-1-yl)-(4,4-difluorocyclohexyl)methanone?
The canonical SMILES for (2-tert-butylazetidin-1-yl)-(4,4-difluorocyclohexyl)methanone is CC(C)(C)C1CCN1C(=O)C1CCC(F)(F)CC1.
What is the InChIKey of (2-tert-butylazetidin-1-yl)-(4,4-difluorocyclohexyl)methanone?
The InChIKey is NZHFENLBHRPXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c1-13(2,3)11-6-9-17(11)12(18)10-4-7-14(15,16)8-5-10/h10-11H,4-9H2,1-3H3.
What are the key properties of (2-tert-butylazetidin-1-yl)-(4,4-difluorocyclohexyl)methanone?
(2-tert-butylazetidin-1-yl)-(4,4-difluorocyclohexyl)methanone has a molecular weight of 259.34 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylazetidin-1-yl)-(4,4-difluorocyclohexyl)methanone is sourced from PubChem (CID 67953046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).