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

C15H32FNO — CID 103392396

IUPAC4-fluoro-4-(methoxymethyl)tridecan-1-amine
SMILESCCCCCCCCCC(F)(CCCN)COC
InChIInChI=1S/C15H32FNO/c1-3-4-5-6-7-8-9-11-15(16,14-18-2)12-10-13-17/h3-14,17H2,1-2H3
InChIKeyHXZWUHOSRPKIDS-UHFFFAOYSA-N
MW261.42 g/mol
LogP4.22
Rot. Bonds13

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

4-fluoro-4-(methoxymethyl)tridecan-1-amine (PubChem CID 103392396) has the molecular formula C15H32FNO and a molecular weight of 261.42 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)tridecan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)tridecan-1-amine
PubChem CID103392396
Molecular FormulaC15H32FNO
Molecular Weight261.42 g/mol
Exact Mass261.25
IUPAC Name4-fluoro-4-(methoxymethyl)tridecan-1-amine
SMILESCCCCCCCCCC(F)(CCCN)COC
InChIInChI=1S/C15H32FNO/c1-3-4-5-6-7-8-9-11-15(16,14-18-2)12-10-13-17/h3-14,17H2,1-2H3
InChIKeyHXZWUHOSRPKIDS-UHFFFAOYSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.42
LogP ≤ 54.22
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

(2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine
CID 163716390
12-Ethoxy-3-methyl-4-(3-methylbutan-2-yl)dodecan-1-amine
CID 109375
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
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)dodecan-1-amine
CID 103392406
4-Fluoro-4-(methoxymethyl)-6-methylheptan-1-amine
CID 103392443
4-Fluoro-4-(methoxymethyl)undecan-1-amine
CID 103392444
4-Fluoro-4-(methoxymethyl)tetradecan-1-amine
CID 103392445

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)tridecan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)tridecan-1-amine (CID 103392396) is 4-fluoro-4-(methoxymethyl)tridecan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)tridecan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)tridecan-1-amine is CCCCCCCCCC(F)(CCCN)COC.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)tridecan-1-amine?
The InChIKey is HXZWUHOSRPKIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32FNO/c1-3-4-5-6-7-8-9-11-15(16,14-18-2)12-10-13-17/h3-14,17H2,1-2H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)tridecan-1-amine?
4-fluoro-4-(methoxymethyl)tridecan-1-amine has a molecular weight of 261.42 g/mol, XLogP of 4.22, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)tridecan-1-amine is sourced from PubChem (CID 103392396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).