3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane-2,5-dione

C14H23FN2O2 — CID 81110439

IUPAC3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane-2,5-dione
SMILESO=C1CCN(CCCF)C(=O)C(C2CCCCC2)N1
InChIInChI=1S/C14H23FN2O2/c15-8-4-9-17-10-7-12(18)16-13(14(17)19)11-5-2-1-3-6-11/h11,13H,1-10H2,(H,16,18)
InChIKeyAFVHGZFZRFEKBH-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.64
Rot. Bonds4

About 3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane-2,5-dione

3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane-2,5-dione (PubChem CID 81110439) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane-2,5-dione
PubChem CID81110439
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane-2,5-dione
SMILESO=C1CCN(CCCF)C(=O)C(C2CCCCC2)N1
InChIInChI=1S/C14H23FN2O2/c15-8-4-9-17-10-7-12(18)16-13(14(17)19)11-5-2-1-3-6-11/h11,13H,1-10H2,(H,16,18)
InChIKeyAFVHGZFZRFEKBH-UHFFFAOYSA-N
XLogP1.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane-2,5-dione (CID 81110439) is 3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane-2,5-dione is O=C1CCN(CCCF)C(=O)C(C2CCCCC2)N1.
What is the InChIKey of 3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane-2,5-dione?
The InChIKey is AFVHGZFZRFEKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c15-8-4-9-17-10-7-12(18)16-13(14(17)19)11-5-2-1-3-6-11/h11,13H,1-10H2,(H,16,18).
What are the key properties of 3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane-2,5-dione?
3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane-2,5-dione has a molecular weight of 270.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 81110439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).