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

C13H28FNO — CID 103392444

IUPAC4-fluoro-4-(methoxymethyl)undecan-1-amine
SMILESCCCCCCCC(F)(CCCN)COC
InChIInChI=1S/C13H28FNO/c1-3-4-5-6-7-9-13(14,12-16-2)10-8-11-15/h3-12,15H2,1-2H3
InChIKeyLMMVYZGNDAPBAO-UHFFFAOYSA-N
MW233.37 g/mol
LogP3.44
Rot. Bonds11

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

4-fluoro-4-(methoxymethyl)undecan-1-amine (PubChem CID 103392444) has the molecular formula C13H28FNO and a molecular weight of 233.37 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)undecan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)undecan-1-amine
PubChem CID103392444
Molecular FormulaC13H28FNO
Molecular Weight233.37 g/mol
Exact Mass233.22
IUPAC Name4-fluoro-4-(methoxymethyl)undecan-1-amine
SMILESCCCCCCCC(F)(CCCN)COC
InChIInChI=1S/C13H28FNO/c1-3-4-5-6-7-9-13(14,12-16-2)10-8-11-15/h3-12,15H2,1-2H3
InChIKeyLMMVYZGNDAPBAO-UHFFFAOYSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

10-Ethoxy-9,9-dimethyldecan-1-amine
CID 3085386
3-Fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine
CID 155259230
(2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine
CID 163716390
1-(3-Fluorooxetan-3-yl)hexan-2-amine
CID 178114647
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 62505704
2-Propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505889
2-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine
CID 62723303
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)hexan-1-amine
CID 103392395
4-Fluoro-4-(methoxymethyl)tridecan-1-amine
CID 103392396

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)undecan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)undecan-1-amine (CID 103392444) is 4-fluoro-4-(methoxymethyl)undecan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)undecan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)undecan-1-amine is CCCCCCCC(F)(CCCN)COC.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)undecan-1-amine?
The InChIKey is LMMVYZGNDAPBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28FNO/c1-3-4-5-6-7-9-13(14,12-16-2)10-8-11-15/h3-12,15H2,1-2H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)undecan-1-amine?
4-fluoro-4-(methoxymethyl)undecan-1-amine has a molecular weight of 233.37 g/mol, XLogP of 3.44, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)undecan-1-amine is sourced from PubChem (CID 103392444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).