7-amino-4,4-difluoro-2-methylheptan-3-one

C8H15F2NO — CID 138747779

IUPAC7-amino-4,4-difluoro-2-methylheptan-3-one
SMILESCC(C)C(=O)C(F)(F)CCCN
InChIInChI=1S/C8H15F2NO/c1-6(2)7(12)8(9,10)4-3-5-11/h6H,3-5,11H2,1-2H3
InChIKeyDKURUSFEPWXLSK-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.59
Rot. Bonds5

About 7-amino-4,4-difluoro-2-methylheptan-3-one

7-amino-4,4-difluoro-2-methylheptan-3-one (PubChem CID 138747779) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 7-amino-4,4-difluoro-2-methylheptan-3-one.

Molecular Properties

Compound Name7-amino-4,4-difluoro-2-methylheptan-3-one
PubChem CID138747779
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name7-amino-4,4-difluoro-2-methylheptan-3-one
SMILESCC(C)C(=O)C(F)(F)CCCN
InChIInChI=1S/C8H15F2NO/c1-6(2)7(12)8(9,10)4-3-5-11/h6H,3-5,11H2,1-2H3
InChIKeyDKURUSFEPWXLSK-UHFFFAOYSA-N
XLogP1.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4,4-difluoro-2-methylheptan-3-one?
The IUPAC name of 7-amino-4,4-difluoro-2-methylheptan-3-one (CID 138747779) is 7-amino-4,4-difluoro-2-methylheptan-3-one.
What is the SMILES notation for 7-amino-4,4-difluoro-2-methylheptan-3-one?
The canonical SMILES for 7-amino-4,4-difluoro-2-methylheptan-3-one is CC(C)C(=O)C(F)(F)CCCN.
What is the InChIKey of 7-amino-4,4-difluoro-2-methylheptan-3-one?
The InChIKey is DKURUSFEPWXLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(2)7(12)8(9,10)4-3-5-11/h6H,3-5,11H2,1-2H3.
What are the key properties of 7-amino-4,4-difluoro-2-methylheptan-3-one?
7-amino-4,4-difluoro-2-methylheptan-3-one has a molecular weight of 179.21 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4,4-difluoro-2-methylheptan-3-one is sourced from PubChem (CID 138747779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).