1,4-diamino-5-cyclohexyl-2,2-difluoropentan-3-one

C11H20F2N2O — CID 142625149

IUPAC1,4-diamino-5-cyclohexyl-2,2-difluoropentan-3-one
SMILESNCC(F)(F)C(=O)C(N)CC1CCCCC1
InChIInChI=1S/C11H20F2N2O/c12-11(13,7-14)10(16)9(15)6-8-4-2-1-3-5-8/h8-9H,1-7,14-15H2
InChIKeyBUKKIPYDJLSDLR-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.45
Rot. Bonds5

About 1,4-diamino-5-cyclohexyl-2,2-difluoropentan-3-one

1,4-diamino-5-cyclohexyl-2,2-difluoropentan-3-one (PubChem CID 142625149) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 1,4-diamino-5-cyclohexyl-2,2-difluoropentan-3-one.

Molecular Properties

Compound Name1,4-diamino-5-cyclohexyl-2,2-difluoropentan-3-one
PubChem CID142625149
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name1,4-diamino-5-cyclohexyl-2,2-difluoropentan-3-one
SMILESNCC(F)(F)C(=O)C(N)CC1CCCCC1
InChIInChI=1S/C11H20F2N2O/c12-11(13,7-14)10(16)9(15)6-8-4-2-1-3-5-8/h8-9H,1-7,14-15H2
InChIKeyBUKKIPYDJLSDLR-UHFFFAOYSA-N
XLogP1.45
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-diamino-5-cyclohexyl-2,2-difluoropentan-3-one?
The IUPAC name of 1,4-diamino-5-cyclohexyl-2,2-difluoropentan-3-one (CID 142625149) is 1,4-diamino-5-cyclohexyl-2,2-difluoropentan-3-one.
What is the SMILES notation for 1,4-diamino-5-cyclohexyl-2,2-difluoropentan-3-one?
The canonical SMILES for 1,4-diamino-5-cyclohexyl-2,2-difluoropentan-3-one is NCC(F)(F)C(=O)C(N)CC1CCCCC1.
What is the InChIKey of 1,4-diamino-5-cyclohexyl-2,2-difluoropentan-3-one?
The InChIKey is BUKKIPYDJLSDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c12-11(13,7-14)10(16)9(15)6-8-4-2-1-3-5-8/h8-9H,1-7,14-15H2.
What are the key properties of 1,4-diamino-5-cyclohexyl-2,2-difluoropentan-3-one?
1,4-diamino-5-cyclohexyl-2,2-difluoropentan-3-one has a molecular weight of 234.29 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diamino-5-cyclohexyl-2,2-difluoropentan-3-one is sourced from PubChem (CID 142625149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).