(5R)-5-fluoro-3,6,6-trimethyloctan-1-amine

C11H24FN — CID 146557752

IUPAC(5R)-5-fluoro-3,6,6-trimethyloctan-1-amine
SMILESCCC(C)(C)[C@H](F)CC(C)CCN
InChIInChI=1S/C11H24FN/c1-5-11(3,4)10(12)8-9(2)6-7-13/h9-10H,5-8,13H2,1-4H3/t9?,10-/m1/s1
InChIKeyQDPQUKZAMZAUPL-QVDQXJPCSA-N
MW189.32 g/mol
LogP3.14
Rot. Bonds6

About (5R)-5-fluoro-3,6,6-trimethyloctan-1-amine

(5R)-5-fluoro-3,6,6-trimethyloctan-1-amine (PubChem CID 146557752) has the molecular formula C11H24FN and a molecular weight of 189.32 g/mol. Its IUPAC name is (5R)-5-fluoro-3,6,6-trimethyloctan-1-amine.

Molecular Properties

Compound Name(5R)-5-fluoro-3,6,6-trimethyloctan-1-amine
PubChem CID146557752
Molecular FormulaC11H24FN
Molecular Weight189.32 g/mol
Exact Mass189.19
IUPAC Name(5R)-5-fluoro-3,6,6-trimethyloctan-1-amine
SMILESCCC(C)(C)[C@H](F)CC(C)CCN
InChIInChI=1S/C11H24FN/c1-5-11(3,4)10(12)8-9(2)6-7-13/h9-10H,5-8,13H2,1-4H3/t9?,10-/m1/s1
InChIKeyQDPQUKZAMZAUPL-QVDQXJPCSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-fluoro-3,6,6-trimethyloctan-1-amine?
The IUPAC name of (5R)-5-fluoro-3,6,6-trimethyloctan-1-amine (CID 146557752) is (5R)-5-fluoro-3,6,6-trimethyloctan-1-amine.
What is the SMILES notation for (5R)-5-fluoro-3,6,6-trimethyloctan-1-amine?
The canonical SMILES for (5R)-5-fluoro-3,6,6-trimethyloctan-1-amine is CCC(C)(C)[C@H](F)CC(C)CCN.
What is the InChIKey of (5R)-5-fluoro-3,6,6-trimethyloctan-1-amine?
The InChIKey is QDPQUKZAMZAUPL-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H24FN/c1-5-11(3,4)10(12)8-9(2)6-7-13/h9-10H,5-8,13H2,1-4H3/t9?,10-/m1/s1.
What are the key properties of (5R)-5-fluoro-3,6,6-trimethyloctan-1-amine?
(5R)-5-fluoro-3,6,6-trimethyloctan-1-amine has a molecular weight of 189.32 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-fluoro-3,6,6-trimethyloctan-1-amine is sourced from PubChem (CID 146557752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).