4-amino-6-fluoro-2,2,6-trimethylheptan-3-one

C10H20FNO — CID 121368335

IUPAC4-amino-6-fluoro-2,2,6-trimethylheptan-3-one
SMILESCC(C)(F)CC(N)C(=O)C(C)(C)C
InChIInChI=1S/C10H20FNO/c1-9(2,3)8(13)7(12)6-10(4,5)11/h7H,6,12H2,1-5H3
InChIKeyFZJPFQQJMQIAEE-UHFFFAOYSA-N
MW189.27 g/mol
LogP2.07
Rot. Bonds3

About 4-amino-6-fluoro-2,2,6-trimethylheptan-3-one

4-amino-6-fluoro-2,2,6-trimethylheptan-3-one (PubChem CID 121368335) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 4-amino-6-fluoro-2,2,6-trimethylheptan-3-one.

Molecular Properties

Compound Name4-amino-6-fluoro-2,2,6-trimethylheptan-3-one
PubChem CID121368335
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name4-amino-6-fluoro-2,2,6-trimethylheptan-3-one
SMILESCC(C)(F)CC(N)C(=O)C(C)(C)C
InChIInChI=1S/C10H20FNO/c1-9(2,3)8(13)7(12)6-10(4,5)11/h7H,6,12H2,1-5H3
InChIKeyFZJPFQQJMQIAEE-UHFFFAOYSA-N
XLogP2.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-amino-6-fluoro-2,2,6-trimethylheptan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-fluoro-2,2,6-trimethylheptan-3-one?
The IUPAC name of 4-amino-6-fluoro-2,2,6-trimethylheptan-3-one (CID 121368335) is 4-amino-6-fluoro-2,2,6-trimethylheptan-3-one.
What is the SMILES notation for 4-amino-6-fluoro-2,2,6-trimethylheptan-3-one?
The canonical SMILES for 4-amino-6-fluoro-2,2,6-trimethylheptan-3-one is CC(C)(F)CC(N)C(=O)C(C)(C)C.
What is the InChIKey of 4-amino-6-fluoro-2,2,6-trimethylheptan-3-one?
The InChIKey is FZJPFQQJMQIAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-9(2,3)8(13)7(12)6-10(4,5)11/h7H,6,12H2,1-5H3.
What are the key properties of 4-amino-6-fluoro-2,2,6-trimethylheptan-3-one?
4-amino-6-fluoro-2,2,6-trimethylheptan-3-one has a molecular weight of 189.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-fluoro-2,2,6-trimethylheptan-3-one is sourced from PubChem (CID 121368335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).