4-fluoro-4-(methoxymethyl)octan-1-amine

C10H22FNO — CID 103392515

IUPAC4-fluoro-4-(methoxymethyl)octan-1-amine
SMILESCCCCC(F)(CCCN)COC
InChIInChI=1S/C10H22FNO/c1-3-4-6-10(11,9-13-2)7-5-8-12/h3-9,12H2,1-2H3
InChIKeyTZWUFSNUEXWYMZ-UHFFFAOYSA-N
MW191.29 g/mol
LogP2.27
Rot. Bonds8

About 4-fluoro-4-(methoxymethyl)octan-1-amine

4-fluoro-4-(methoxymethyl)octan-1-amine (PubChem CID 103392515) has the molecular formula C10H22FNO and a molecular weight of 191.29 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)octan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)octan-1-amine
PubChem CID103392515
Molecular FormulaC10H22FNO
Molecular Weight191.29 g/mol
Exact Mass191.17
IUPAC Name4-fluoro-4-(methoxymethyl)octan-1-amine
SMILESCCCCC(F)(CCCN)COC
InChIInChI=1S/C10H22FNO/c1-3-4-6-10(11,9-13-2)7-5-8-12/h3-9,12H2,1-2H3
InChIKeyTZWUFSNUEXWYMZ-UHFFFAOYSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-4-(methoxymethyl)octan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)octan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)octan-1-amine (CID 103392515) is 4-fluoro-4-(methoxymethyl)octan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)octan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)octan-1-amine is CCCCC(F)(CCCN)COC.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)octan-1-amine?
The InChIKey is TZWUFSNUEXWYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO/c1-3-4-6-10(11,9-13-2)7-5-8-12/h3-9,12H2,1-2H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)octan-1-amine?
4-fluoro-4-(methoxymethyl)octan-1-amine has a molecular weight of 191.29 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)octan-1-amine is sourced from PubChem (CID 103392515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).