4-fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine

C14H28FNO2 — CID 103392700

IUPAC4-fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H28FNO2/c1-12(2)9-11(13(3,4)18-12)14(15,10-17-5)7-6-8-16/h11H,6-10,16H2,1-5H3
InChIKeyRPOMLCJXXSVCQV-UHFFFAOYSA-N
MW261.38 g/mol
LogP2.67
Rot. Bonds6

About 4-fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine

4-fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine (PubChem CID 103392700) has the molecular formula C14H28FNO2 and a molecular weight of 261.38 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine
PubChem CID103392700
Molecular FormulaC14H28FNO2
Molecular Weight261.38 g/mol
Exact Mass261.21
IUPAC Name4-fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H28FNO2/c1-12(2)9-11(13(3,4)18-12)14(15,10-17-5)7-6-8-16/h11H,6-10,16H2,1-5H3
InChIKeyRPOMLCJXXSVCQV-UHFFFAOYSA-N
XLogP2.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,5,5-Tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147952
3-(2,2-Difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 103148800
4-Fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine
CID 103392416
4-(2,6-Dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392434
4-(1,9-Dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392491
4-Fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine
CID 103392598
4-Fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 103392600
4-Fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine
CID 103392628
4-Fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 103392629
4-Fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine
CID 103392686
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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine?
The IUPAC name of 4-fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine (CID 103392700) is 4-fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine?
The canonical SMILES for 4-fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine is COCC(F)(CCCN)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 4-fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine?
The InChIKey is RPOMLCJXXSVCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FNO2/c1-12(2)9-11(13(3,4)18-12)14(15,10-17-5)7-6-8-16/h11H,6-10,16H2,1-5H3.
What are the key properties of 4-fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine?
4-fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine has a molecular weight of 261.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine is sourced from PubChem (CID 103392700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).