3-amino-5-fluoro-5-methylhexan-2-one

C7H14FNO — CID 121371178

IUPAC3-amino-5-fluoro-5-methylhexan-2-one
SMILESCC(=O)C(N)CC(C)(C)F
InChIInChI=1S/C7H14FNO/c1-5(10)6(9)4-7(2,3)8/h6H,4,9H2,1-3H3
InChIKeyWQHAGCIKDQAFJB-UHFFFAOYSA-N
MW147.19 g/mol
LogP1.04
Rot. Bonds3

About 3-amino-5-fluoro-5-methylhexan-2-one

3-amino-5-fluoro-5-methylhexan-2-one (PubChem CID 121371178) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 3-amino-5-fluoro-5-methylhexan-2-one.

Molecular Properties

Compound Name3-amino-5-fluoro-5-methylhexan-2-one
PubChem CID121371178
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name3-amino-5-fluoro-5-methylhexan-2-one
SMILESCC(=O)C(N)CC(C)(C)F
InChIInChI=1S/C7H14FNO/c1-5(10)6(9)4-7(2,3)8/h6H,4,9H2,1-3H3
InChIKeyWQHAGCIKDQAFJB-UHFFFAOYSA-N
XLogP1.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-5-methylhexan-2-one?
The IUPAC name of 3-amino-5-fluoro-5-methylhexan-2-one (CID 121371178) is 3-amino-5-fluoro-5-methylhexan-2-one.
What is the SMILES notation for 3-amino-5-fluoro-5-methylhexan-2-one?
The canonical SMILES for 3-amino-5-fluoro-5-methylhexan-2-one is CC(=O)C(N)CC(C)(C)F.
What is the InChIKey of 3-amino-5-fluoro-5-methylhexan-2-one?
The InChIKey is WQHAGCIKDQAFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-5(10)6(9)4-7(2,3)8/h6H,4,9H2,1-3H3.
What are the key properties of 3-amino-5-fluoro-5-methylhexan-2-one?
3-amino-5-fluoro-5-methylhexan-2-one has a molecular weight of 147.19 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-5-methylhexan-2-one is sourced from PubChem (CID 121371178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).