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

C8H18FNO — CID 103392395

IUPAC4-fluoro-4-(methoxymethyl)hexan-1-amine
SMILESCCC(F)(CCCN)COC
InChIInChI=1S/C8H18FNO/c1-3-8(9,7-11-2)5-4-6-10/h3-7,10H2,1-2H3
InChIKeyGNIQLKBMJKJJSF-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.49
Rot. Bonds6

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

4-fluoro-4-(methoxymethyl)hexan-1-amine (PubChem CID 103392395) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)hexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)hexan-1-amine
PubChem CID103392395
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC Name4-fluoro-4-(methoxymethyl)hexan-1-amine
SMILESCCC(F)(CCCN)COC
InChIInChI=1S/C8H18FNO/c1-3-8(9,7-11-2)5-4-6-10/h3-7,10H2,1-2H3
InChIKeyGNIQLKBMJKJJSF-UHFFFAOYSA-N
XLogP1.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methoxy-4,4-dimethylpentan-1-amine
CID 94975411
2-Methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505186
2-Ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505913
3-Methyl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 81013544
5,5,5-Trifluoro-3-(2-methoxyethyl)pentan-1-amine
CID 82534577
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)tridecan-1-amine
CID 103392396
4-Fluoro-4-(methoxymethyl)oct-7-yn-1-amine
CID 103392404
4-Fluoro-4-(methoxymethyl)dodecan-1-amine
CID 103392406
4-Fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine
CID 103392424

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)hexan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)hexan-1-amine (CID 103392395) is 4-fluoro-4-(methoxymethyl)hexan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)hexan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)hexan-1-amine is CCC(F)(CCCN)COC.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)hexan-1-amine?
The InChIKey is GNIQLKBMJKJJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO/c1-3-8(9,7-11-2)5-4-6-10/h3-7,10H2,1-2H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)hexan-1-amine?
4-fluoro-4-(methoxymethyl)hexan-1-amine has a molecular weight of 163.24 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)hexan-1-amine is sourced from PubChem (CID 103392395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).