3-(2-aminoethyl)-3-fluorohexan-2-one

C8H16FNO — CID 91612917

IUPAC3-(2-aminoethyl)-3-fluorohexan-2-one
SMILESCCCC(F)(CCN)C(C)=O
InChIInChI=1S/C8H16FNO/c1-3-4-8(9,5-6-10)7(2)11/h3-6,10H2,1-2H3
InChIKeyZGGBPMDMJMRBGT-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.43
Rot. Bonds5

About 3-(2-aminoethyl)-3-fluorohexan-2-one

3-(2-aminoethyl)-3-fluorohexan-2-one (PubChem CID 91612917) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 3-(2-aminoethyl)-3-fluorohexan-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-3-fluorohexan-2-one
PubChem CID91612917
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name3-(2-aminoethyl)-3-fluorohexan-2-one
SMILESCCCC(F)(CCN)C(C)=O
InChIInChI=1S/C8H16FNO/c1-3-4-8(9,5-6-10)7(2)11/h3-6,10H2,1-2H3
InChIKeyZGGBPMDMJMRBGT-UHFFFAOYSA-N
XLogP1.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(aminomethyl)-5-fluoro-5-methylhexan-2-one
CID 117960445
(2-Acetyl-4-fluoro-4-methylpentyl)azanium
CID 159752519
(5S,6R)-7-amino-5-(fluoromethyl)-4,6-dimethylheptan-3-one
CID 163483566
3,5-Diamino-4-fluoro-4,5-dimethylhexan-2-one
CID 166963863
5-(Aminomethyl)-1,1,1-trifluorooctan-4-one
CID 116574650
7-(Aminomethyl)-1,1,1-trifluoro-9-methyldecan-5-one
CID 116576952
6-(Aminomethyl)-1,1,1-trifluoro-8-methylnonan-4-one
CID 116577005
1-Amino-8,8,8-trifluoro-3-methyloctan-4-one
CID 116594966
7-Amino-1,1,1-trifluoro-5-methylheptan-4-one
CID 116595026
7-(Aminomethyl)-1,1,1-trifluorononan-5-one
CID 116596329
6-(Aminomethyl)-1,1,1-trifluorooctan-4-one
CID 116596388
1-Amino-8,8,8-trifluoro-2-methyloctan-4-one
CID 116596651

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-3-fluorohexan-2-one?
The IUPAC name of 3-(2-aminoethyl)-3-fluorohexan-2-one (CID 91612917) is 3-(2-aminoethyl)-3-fluorohexan-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-3-fluorohexan-2-one?
The canonical SMILES for 3-(2-aminoethyl)-3-fluorohexan-2-one is CCCC(F)(CCN)C(C)=O.
What is the InChIKey of 3-(2-aminoethyl)-3-fluorohexan-2-one?
The InChIKey is ZGGBPMDMJMRBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-3-4-8(9,5-6-10)7(2)11/h3-6,10H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-3-fluorohexan-2-one?
3-(2-aminoethyl)-3-fluorohexan-2-one has a molecular weight of 161.22 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-3-fluorohexan-2-one is sourced from PubChem (CID 91612917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).