4-(fluoroamino)-2,6-dimethylheptan-3-one

C9H18FNO — CID 123501856

IUPAC4-(fluoroamino)-2,6-dimethylheptan-3-one
SMILESCC(C)CC(NF)C(=O)C(C)C
InChIInChI=1S/C9H18FNO/c1-6(2)5-8(11-10)9(12)7(3)4/h6-8,11H,5H2,1-4H3
InChIKeyUOUSMLKLHWYHCH-UHFFFAOYSA-N
MW175.25 g/mol
LogP2.10
Rot. Bonds5

About 4-(fluoroamino)-2,6-dimethylheptan-3-one

4-(fluoroamino)-2,6-dimethylheptan-3-one (PubChem CID 123501856) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-(fluoroamino)-2,6-dimethylheptan-3-one.

Molecular Properties

Compound Name4-(fluoroamino)-2,6-dimethylheptan-3-one
PubChem CID123501856
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name4-(fluoroamino)-2,6-dimethylheptan-3-one
SMILESCC(C)CC(NF)C(=O)C(C)C
InChIInChI=1S/C9H18FNO/c1-6(2)5-8(11-10)9(12)7(3)4/h6-8,11H,5H2,1-4H3
InChIKeyUOUSMLKLHWYHCH-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoroamino)-2,6-dimethylheptan-3-one?
The IUPAC name of 4-(fluoroamino)-2,6-dimethylheptan-3-one (CID 123501856) is 4-(fluoroamino)-2,6-dimethylheptan-3-one.
What is the SMILES notation for 4-(fluoroamino)-2,6-dimethylheptan-3-one?
The canonical SMILES for 4-(fluoroamino)-2,6-dimethylheptan-3-one is CC(C)CC(NF)C(=O)C(C)C.
What is the InChIKey of 4-(fluoroamino)-2,6-dimethylheptan-3-one?
The InChIKey is UOUSMLKLHWYHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-6(2)5-8(11-10)9(12)7(3)4/h6-8,11H,5H2,1-4H3.
What are the key properties of 4-(fluoroamino)-2,6-dimethylheptan-3-one?
4-(fluoroamino)-2,6-dimethylheptan-3-one has a molecular weight of 175.25 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoroamino)-2,6-dimethylheptan-3-one is sourced from PubChem (CID 123501856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).