6-[(2,2-difluoroacetyl)amino]-4-methylhexanoic acid

C9H15F2NO3 — CID 103513317

IUPAC6-[(2,2-difluoroacetyl)amino]-4-methylhexanoic acid
SMILESCC(CCNC(=O)C(F)F)CCC(=O)O
InChIInChI=1S/C9H15F2NO3/c1-6(2-3-7(13)14)4-5-12-9(15)8(10)11/h6,8H,2-5H2,1H3,(H,12,15)(H,13,14)
InChIKeyQYBWGAPAOHVQSW-UHFFFAOYSA-N
MW223.22 g/mol
LogP1.26
Rot. Bonds7

About 6-[(2,2-difluoroacetyl)amino]-4-methylhexanoic acid

6-[(2,2-difluoroacetyl)amino]-4-methylhexanoic acid (PubChem CID 103513317) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is 6-[(2,2-difluoroacetyl)amino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[(2,2-difluoroacetyl)amino]-4-methylhexanoic acid
PubChem CID103513317
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Name6-[(2,2-difluoroacetyl)amino]-4-methylhexanoic acid
SMILESCC(CCNC(=O)C(F)F)CCC(=O)O
InChIInChI=1S/C9H15F2NO3/c1-6(2-3-7(13)14)4-5-12-9(15)8(10)11/h6,8H,2-5H2,1H3,(H,12,15)(H,13,14)
InChIKeyQYBWGAPAOHVQSW-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-difluoroacetyl)amino]-4-methylhexanoic acid?
The IUPAC name of 6-[(2,2-difluoroacetyl)amino]-4-methylhexanoic acid (CID 103513317) is 6-[(2,2-difluoroacetyl)amino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[(2,2-difluoroacetyl)amino]-4-methylhexanoic acid?
The canonical SMILES for 6-[(2,2-difluoroacetyl)amino]-4-methylhexanoic acid is CC(CCNC(=O)C(F)F)CCC(=O)O.
What is the InChIKey of 6-[(2,2-difluoroacetyl)amino]-4-methylhexanoic acid?
The InChIKey is QYBWGAPAOHVQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-6(2-3-7(13)14)4-5-12-9(15)8(10)11/h6,8H,2-5H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 6-[(2,2-difluoroacetyl)amino]-4-methylhexanoic acid?
6-[(2,2-difluoroacetyl)amino]-4-methylhexanoic acid has a molecular weight of 223.22 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-difluoroacetyl)amino]-4-methylhexanoic acid is sourced from PubChem (CID 103513317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).