4-fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine

C10H20FNO2 — CID 103392416

IUPAC4-fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CCOC1
InChIInChI=1S/C10H20FNO2/c1-13-8-10(11,4-2-5-12)9-3-6-14-7-9/h9H,2-8,12H2,1H3
InChIKeyBQRPHWYHILGUCH-UHFFFAOYSA-N
MW205.27 g/mol
LogP1.12
Rot. Bonds6

About 4-fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine

4-fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine (PubChem CID 103392416) has the molecular formula C10H20FNO2 and a molecular weight of 205.27 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine
PubChem CID103392416
Molecular FormulaC10H20FNO2
Molecular Weight205.27 g/mol
Exact Mass205.15
IUPAC Name4-fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CCOC1
InChIInChI=1S/C10H20FNO2/c1-13-8-10(11,4-2-5-12)9-3-6-14-7-9/h9H,2-8,12H2,1H3
InChIKeyBQRPHWYHILGUCH-UHFFFAOYSA-N
XLogP1.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine
CID 103392424
4-Fluoro-5-methoxy-4-(oxan-4-yl)pentan-1-amine
CID 103392450
4-Fluoro-7-methoxy-4-(methoxymethyl)-5-methylheptan-1-amine
CID 103392482
4-Fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine
CID 103392598
4-Fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine
CID 103392700
3-Fluoro-3-(oxolan-3-yl)butan-1-amine
CID 105431666
4-Fluoro-5-methoxy-4-(oxan-3-yl)pentan-1-amine
CID 107138262
2-[Fluoro(oxolan-3-yl)methyl]-3-methylbutan-1-amine
CID 107443524
2-Fluoro-2-(oxolan-3-yl)pentan-1-amine
CID 112567819
4-Fluoro-3-(oxolan-3-yl)butan-1-amine
CID 115012665
4-Fluoro-3-(oxolan-3-yl)pentan-1-amine
CID 115014541
4-Methoxy-3-(oxolan-3-yl)butan-1-amine
CID 115014177

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine?
The IUPAC name of 4-fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine (CID 103392416) is 4-fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine?
The canonical SMILES for 4-fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine is COCC(F)(CCCN)C1CCOC1.
What is the InChIKey of 4-fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine?
The InChIKey is BQRPHWYHILGUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2/c1-13-8-10(11,4-2-5-12)9-3-6-14-7-9/h9H,2-8,12H2,1H3.
What are the key properties of 4-fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine?
4-fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine has a molecular weight of 205.27 g/mol, XLogP of 1.12, 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-(oxolan-3-yl)pentan-1-amine is sourced from PubChem (CID 103392416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).