2-fluoro-4-methoxy-5-methylhexan-1-amine

C8H18FNO — CID 167264155

IUPAC2-fluoro-4-methoxy-5-methylhexan-1-amine
SMILESCOC(CC(F)CN)C(C)C
InChIInChI=1S/C8H18FNO/c1-6(2)8(11-3)4-7(9)5-10/h6-8H,4-5,10H2,1-3H3
InChIKeyYHFQINXJCDMXKK-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.34
Rot. Bonds5

About 2-fluoro-4-methoxy-5-methylhexan-1-amine

2-fluoro-4-methoxy-5-methylhexan-1-amine (PubChem CID 167264155) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-5-methylhexan-1-amine.

Molecular Properties

Compound Name2-fluoro-4-methoxy-5-methylhexan-1-amine
PubChem CID167264155
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC Name2-fluoro-4-methoxy-5-methylhexan-1-amine
SMILESCOC(CC(F)CN)C(C)C
InChIInChI=1S/C8H18FNO/c1-6(2)8(11-3)4-7(9)5-10/h6-8H,4-5,10H2,1-3H3
InChIKeyYHFQINXJCDMXKK-UHFFFAOYSA-N
XLogP1.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-5-methylhexan-1-amine?
The IUPAC name of 2-fluoro-4-methoxy-5-methylhexan-1-amine (CID 167264155) is 2-fluoro-4-methoxy-5-methylhexan-1-amine.
What is the SMILES notation for 2-fluoro-4-methoxy-5-methylhexan-1-amine?
The canonical SMILES for 2-fluoro-4-methoxy-5-methylhexan-1-amine is COC(CC(F)CN)C(C)C.
What is the InChIKey of 2-fluoro-4-methoxy-5-methylhexan-1-amine?
The InChIKey is YHFQINXJCDMXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO/c1-6(2)8(11-3)4-7(9)5-10/h6-8H,4-5,10H2,1-3H3.
What are the key properties of 2-fluoro-4-methoxy-5-methylhexan-1-amine?
2-fluoro-4-methoxy-5-methylhexan-1-amine has a molecular weight of 163.24 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-5-methylhexan-1-amine is sourced from PubChem (CID 167264155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).