4-fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine

C12H24FNO2 — CID 103392598

IUPAC4-fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine
SMILESCOCC(F)(CCCN)CCC1CCCO1
InChIInChI=1S/C12H24FNO2/c1-15-10-12(13,6-3-8-14)7-5-11-4-2-9-16-11/h11H,2-10,14H2,1H3
InChIKeyYOZIRPQDPRBHSN-UHFFFAOYSA-N
MW233.33 g/mol
LogP2.04
Rot. Bonds8

About 4-fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine

4-fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine (PubChem CID 103392598) has the molecular formula C12H24FNO2 and a molecular weight of 233.33 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine
PubChem CID103392598
Molecular FormulaC12H24FNO2
Molecular Weight233.33 g/mol
Exact Mass233.18
IUPAC Name4-fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine
SMILESCOCC(F)(CCCN)CCC1CCCO1
InChIInChI=1S/C12H24FNO2/c1-15-10-12(13,6-3-8-14)7-5-11-4-2-9-16-11/h11H,2-10,14H2,1H3
InChIKeyYOZIRPQDPRBHSN-UHFFFAOYSA-N
XLogP2.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-Trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine
CID 82534815
4-Fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine
CID 103392416
4-Fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine
CID 103392628
4-Fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine
CID 103392686
4-Fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine
CID 103392700
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
2-Fluoro-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 112565044
2-Fluoro-2-methyl-4-(oxolan-2-yl)butan-1-amine
CID 112565209
2-Ethyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine
CID 112565907
2-Ethyl-2-fluoro-4-(oxolan-2-yl)butan-1-amine
CID 112566110
2-Fluoro-3-methyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine
CID 112566960

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine (CID 103392598) is 4-fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine is COCC(F)(CCCN)CCC1CCCO1.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine?
The InChIKey is YOZIRPQDPRBHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO2/c1-15-10-12(13,6-3-8-14)7-5-11-4-2-9-16-11/h11H,2-10,14H2,1H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine?
4-fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine has a molecular weight of 233.33 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)-6-(oxolan-2-yl)hexan-1-amine is sourced from PubChem (CID 103392598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).