7-(aminomethyl)-1,1,1-trifluorononan-5-one

C10H18F3NO — CID 116596329

IUPAC7-(aminomethyl)-1,1,1-trifluorononan-5-one
SMILESCCC(CN)CC(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-2-8(7-14)6-9(15)4-3-5-10(11,12)13/h8H,2-7,14H2,1H3
InChIKeyNCXIEQLPZBXMJL-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.66
Rot. Bonds7

About 7-(aminomethyl)-1,1,1-trifluorononan-5-one

7-(aminomethyl)-1,1,1-trifluorononan-5-one (PubChem CID 116596329) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 7-(aminomethyl)-1,1,1-trifluorononan-5-one.

Molecular Properties

Compound Name7-(aminomethyl)-1,1,1-trifluorononan-5-one
PubChem CID116596329
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name7-(aminomethyl)-1,1,1-trifluorononan-5-one
SMILESCCC(CN)CC(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-2-8(7-14)6-9(15)4-3-5-10(11,12)13/h8H,2-7,14H2,1H3
InChIKeyNCXIEQLPZBXMJL-UHFFFAOYSA-N
XLogP2.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-1,1,1-trifluorononan-5-one?
The IUPAC name of 7-(aminomethyl)-1,1,1-trifluorononan-5-one (CID 116596329) is 7-(aminomethyl)-1,1,1-trifluorononan-5-one.
What is the SMILES notation for 7-(aminomethyl)-1,1,1-trifluorononan-5-one?
The canonical SMILES for 7-(aminomethyl)-1,1,1-trifluorononan-5-one is CCC(CN)CC(=O)CCCC(F)(F)F.
What is the InChIKey of 7-(aminomethyl)-1,1,1-trifluorononan-5-one?
The InChIKey is NCXIEQLPZBXMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-8(7-14)6-9(15)4-3-5-10(11,12)13/h8H,2-7,14H2,1H3.
What are the key properties of 7-(aminomethyl)-1,1,1-trifluorononan-5-one?
7-(aminomethyl)-1,1,1-trifluorononan-5-one has a molecular weight of 225.25 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-1,1,1-trifluorononan-5-one is sourced from PubChem (CID 116596329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).