3-(2-fluoro-2-methylpropyl)-2,4,5,5-tetramethylhexan-2-amine

C14H30FN — CID 166882432

IUPAC3-(2-fluoro-2-methylpropyl)-2,4,5,5-tetramethylhexan-2-amine
SMILESCC(C(CC(C)(C)F)C(C)(C)N)C(C)(C)C
InChIInChI=1S/C14H30FN/c1-10(12(2,3)4)11(14(7,8)16)9-13(5,6)15/h10-11H,9,16H2,1-8H3
InChIKeyCELGBGIOMOHTOA-UHFFFAOYSA-N
MW231.40 g/mol
LogP4.16
Rot. Bonds4

About 3-(2-fluoro-2-methylpropyl)-2,4,5,5-tetramethylhexan-2-amine

3-(2-fluoro-2-methylpropyl)-2,4,5,5-tetramethylhexan-2-amine (PubChem CID 166882432) has the molecular formula C14H30FN and a molecular weight of 231.40 g/mol. Its IUPAC name is 3-(2-fluoro-2-methylpropyl)-2,4,5,5-tetramethylhexan-2-amine.

Molecular Properties

Compound Name3-(2-fluoro-2-methylpropyl)-2,4,5,5-tetramethylhexan-2-amine
PubChem CID166882432
Molecular FormulaC14H30FN
Molecular Weight231.40 g/mol
Exact Mass231.24
IUPAC Name3-(2-fluoro-2-methylpropyl)-2,4,5,5-tetramethylhexan-2-amine
SMILESCC(C(CC(C)(C)F)C(C)(C)N)C(C)(C)C
InChIInChI=1S/C14H30FN/c1-10(12(2,3)4)11(14(7,8)16)9-13(5,6)15/h10-11H,9,16H2,1-8H3
InChIKeyCELGBGIOMOHTOA-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-2-methylpropyl)-2,4,5,5-tetramethylhexan-2-amine?
The IUPAC name of 3-(2-fluoro-2-methylpropyl)-2,4,5,5-tetramethylhexan-2-amine (CID 166882432) is 3-(2-fluoro-2-methylpropyl)-2,4,5,5-tetramethylhexan-2-amine.
What is the SMILES notation for 3-(2-fluoro-2-methylpropyl)-2,4,5,5-tetramethylhexan-2-amine?
The canonical SMILES for 3-(2-fluoro-2-methylpropyl)-2,4,5,5-tetramethylhexan-2-amine is CC(C(CC(C)(C)F)C(C)(C)N)C(C)(C)C.
What is the InChIKey of 3-(2-fluoro-2-methylpropyl)-2,4,5,5-tetramethylhexan-2-amine?
The InChIKey is CELGBGIOMOHTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30FN/c1-10(12(2,3)4)11(14(7,8)16)9-13(5,6)15/h10-11H,9,16H2,1-8H3.
What are the key properties of 3-(2-fluoro-2-methylpropyl)-2,4,5,5-tetramethylhexan-2-amine?
3-(2-fluoro-2-methylpropyl)-2,4,5,5-tetramethylhexan-2-amine has a molecular weight of 231.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-2-methylpropyl)-2,4,5,5-tetramethylhexan-2-amine is sourced from PubChem (CID 166882432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).