2-fluoro-2,4,4-trimethylpentan-3-amine

C8H18FN — CID 84763032

IUPAC2-fluoro-2,4,4-trimethylpentan-3-amine
SMILESCC(C)(C)C(N)C(C)(C)F
InChIInChI=1S/C8H18FN/c1-7(2,3)6(10)8(4,5)9/h6H,10H2,1-5H3
InChIKeyTYRSLFPUVVUABC-UHFFFAOYSA-N
MW147.24 g/mol
LogP2.11
Rot. Bonds1

About 2-fluoro-2,4,4-trimethylpentan-3-amine

2-fluoro-2,4,4-trimethylpentan-3-amine (PubChem CID 84763032) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-fluoro-2,4,4-trimethylpentan-3-amine.

Molecular Properties

Compound Name2-fluoro-2,4,4-trimethylpentan-3-amine
PubChem CID84763032
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC Name2-fluoro-2,4,4-trimethylpentan-3-amine
SMILESCC(C)(C)C(N)C(C)(C)F
InChIInChI=1S/C8H18FN/c1-7(2,3)6(10)8(4,5)9/h6H,10H2,1-5H3
InChIKeyTYRSLFPUVVUABC-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,4,4-trimethylpentan-3-amine?
The IUPAC name of 2-fluoro-2,4,4-trimethylpentan-3-amine (CID 84763032) is 2-fluoro-2,4,4-trimethylpentan-3-amine.
What is the SMILES notation for 2-fluoro-2,4,4-trimethylpentan-3-amine?
The canonical SMILES for 2-fluoro-2,4,4-trimethylpentan-3-amine is CC(C)(C)C(N)C(C)(C)F.
What is the InChIKey of 2-fluoro-2,4,4-trimethylpentan-3-amine?
The InChIKey is TYRSLFPUVVUABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c1-7(2,3)6(10)8(4,5)9/h6H,10H2,1-5H3.
What are the key properties of 2-fluoro-2,4,4-trimethylpentan-3-amine?
2-fluoro-2,4,4-trimethylpentan-3-amine has a molecular weight of 147.24 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,4,4-trimethylpentan-3-amine is sourced from PubChem (CID 84763032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).