4-fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine

C13H26FNO2 — CID 103392628

IUPAC4-fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine
SMILESCOCC(F)(CCCN)CCCC1CCCO1
InChIInChI=1S/C13H26FNO2/c1-16-11-13(14,8-4-9-15)7-2-5-12-6-3-10-17-12/h12H,2-11,15H2,1H3
InChIKeyALFFJWPLJRZHNH-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.43
Rot. Bonds9

About 4-fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine

4-fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine (PubChem CID 103392628) has the molecular formula C13H26FNO2 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine
PubChem CID103392628
Molecular FormulaC13H26FNO2
Molecular Weight247.35 g/mol
Exact Mass247.19
IUPAC Name4-fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine
SMILESCOCC(F)(CCCN)CCCC1CCCO1
InChIInChI=1S/C13H26FNO2/c1-16-11-13(14,8-4-9-15)7-2-5-12-6-3-10-17-12/h12H,2-11,15H2,1H3
InChIKeyALFFJWPLJRZHNH-UHFFFAOYSA-N
XLogP2.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2,4-Difluorocyclohexyl)oxolan-2-yl]methanamine
CID 140479037
4,4,4-Trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine
CID 82534815
4-Fluoro-4-(methoxymethyl)dodecan-1-amine
CID 103392406
4-Fluoro-4-(methoxymethyl)undecan-1-amine
CID 103392444
4-Fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine
CID 103392477
4-Fluoro-4-(methoxymethyl)nonan-1-amine
CID 103392560
4-Fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine
CID 103392598
4-Fluoro-4-(methoxymethyl)decan-1-amine
CID 103392617
4-Fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine
CID 103392700
2-[Fluoro(oxolan-3-yl)methyl]-3-methylbutan-1-amine
CID 107443524
3-Fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine
CID 107443533
3-Fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine
CID 107443727

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine (CID 103392628) is 4-fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine is COCC(F)(CCCN)CCCC1CCCO1.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine?
The InChIKey is ALFFJWPLJRZHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO2/c1-16-11-13(14,8-4-9-15)7-2-5-12-6-3-10-17-12/h12H,2-11,15H2,1H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine?
4-fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine has a molecular weight of 247.35 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine is sourced from PubChem (CID 103392628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).