4-fluoro-4-(methoxymethyl)oct-7-yn-1-amine

C10H18FNO — CID 103392404

IUPAC4-fluoro-4-(methoxymethyl)oct-7-yn-1-amine
SMILESC#CCCC(F)(CCCN)COC
InChIInChI=1S/C10H18FNO/c1-3-4-6-10(11,9-13-2)7-5-8-12/h1H,4-9,12H2,2H3
InChIKeyGYXBKTWTUVGSAO-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.49
Rot. Bonds7

About 4-fluoro-4-(methoxymethyl)oct-7-yn-1-amine

4-fluoro-4-(methoxymethyl)oct-7-yn-1-amine (PubChem CID 103392404) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)oct-7-yn-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)oct-7-yn-1-amine
PubChem CID103392404
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name4-fluoro-4-(methoxymethyl)oct-7-yn-1-amine
SMILESC#CCCC(F)(CCCN)COC
InChIInChI=1S/C10H18FNO/c1-3-4-6-10(11,9-13-2)7-5-8-12/h1H,4-9,12H2,2H3
InChIKeyGYXBKTWTUVGSAO-UHFFFAOYSA-N
XLogP1.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-Fluoro-4-(methoxymethyl)hexan-1-amine
CID 103392395
4-Fluoro-4-(methoxymethyl)-6-methylheptan-1-amine
CID 103392443
4-Fluoro-4-(methoxymethyl)non-8-yn-1-amine
CID 103392451
4,7,7,7-Tetrafluoro-4-(methoxymethyl)heptan-1-amine
CID 103392459
4-Fluoro-4-(methoxymethyl)heptan-1-amine
CID 103392513
4-Fluoro-4-(methoxymethyl)octan-1-amine
CID 103392515
4-Fluoro-4-(methoxymethyl)-5-methylheptan-1-amine
CID 103392585
4-Fluoro-4-(methoxymethyl)non-7-yn-1-amine
CID 103392609
5-Ethyl-4-fluoro-4-(methoxymethyl)heptan-1-amine
CID 103392649
4-Fluoro-4-(methoxymethyl)hex-5-yn-1-amine
CID 103392655
4-Fluoro-4-(methoxymethyl)hept-6-yn-1-amine
CID 103392674

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)oct-7-yn-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)oct-7-yn-1-amine (CID 103392404) is 4-fluoro-4-(methoxymethyl)oct-7-yn-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)oct-7-yn-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)oct-7-yn-1-amine is C#CCCC(F)(CCCN)COC.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)oct-7-yn-1-amine?
The InChIKey is GYXBKTWTUVGSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-3-4-6-10(11,9-13-2)7-5-8-12/h1H,4-9,12H2,2H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)oct-7-yn-1-amine?
4-fluoro-4-(methoxymethyl)oct-7-yn-1-amine has a molecular weight of 187.26 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)oct-7-yn-1-amine is sourced from PubChem (CID 103392404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).