4-fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine

C12H24FNO2 — CID 103392477

IUPAC4-fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)CC1CCOCC1
InChIInChI=1S/C12H24FNO2/c1-15-10-12(13,5-2-6-14)9-11-3-7-16-8-4-11/h11H,2-10,14H2,1H3
InChIKeyQRAVRXBTKXLKGQ-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.90
Rot. Bonds7

About 4-fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine

4-fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine (PubChem CID 103392477) has the molecular formula C12H24FNO2 and a molecular weight of 233.33 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine
PubChem CID103392477
Molecular FormulaC12H24FNO2
Molecular Weight233.33 g/mol
Exact Mass233.18
IUPAC Name4-fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)CC1CCOCC1
InChIInChI=1S/C12H24FNO2/c1-15-10-12(13,5-2-6-14)9-11-3-7-16-8-4-11/h11H,2-10,14H2,1H3
InChIKeyQRAVRXBTKXLKGQ-UHFFFAOYSA-N
XLogP1.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-Dimethyloxan-4-yl)-2-fluoroethanamine
CID 124157739
2-[6-Oxaspiro[4.5]decan-9-yl] ethylamine
CID 79920888
2-[2-Isopropyl-4-(3-methylbutyl)tetrahydropyran-4-yl]-ethylamine
CID 129768638
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 62505704
5,5,5-Trifluoro-1-(oxan-4-yl)pentan-2-amine
CID 79953746
4-Fluoro-4-(methoxymethyl)-6-methylnonan-1-amine
CID 103392364
4-Fluoro-4-(methoxymethyl)-6-methyloctan-1-amine
CID 103392386
4-Fluoro-4-(methoxymethyl)-7-methyloctan-1-amine
CID 103392394
4-Fluoro-4-(methoxymethyl)tridecan-1-amine
CID 103392396
4-Fluoro-4-(methoxymethyl)dodecan-1-amine
CID 103392406
4-Fluoro-4-(methoxymethyl)undecan-1-amine
CID 103392444
4-Fluoro-5-methoxy-4-(oxan-4-yl)pentan-1-amine
CID 103392450

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine (CID 103392477) is 4-fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine is COCC(F)(CCCN)CC1CCOCC1.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine?
The InChIKey is QRAVRXBTKXLKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO2/c1-15-10-12(13,5-2-6-14)9-11-3-7-16-8-4-11/h11H,2-10,14H2,1H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine?
4-fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine has a molecular weight of 233.33 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine is sourced from PubChem (CID 103392477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).