2-fluoro-2-methoxy-3,3-dimethylbutan-1-amine

C7H16FNO — CID 83855263

IUPAC2-fluoro-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCOC(F)(CN)C(C)(C)C
InChIInChI=1S/C7H16FNO/c1-6(2,3)7(8,5-9)10-4/h5,9H2,1-4H3
InChIKeyJCZXVOFGDAKJCU-UHFFFAOYSA-N
MW149.21 g/mol
LogP1.30
Rot. Bonds2

About 2-fluoro-2-methoxy-3,3-dimethylbutan-1-amine

2-fluoro-2-methoxy-3,3-dimethylbutan-1-amine (PubChem CID 83855263) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is 2-fluoro-2-methoxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-methoxy-3,3-dimethylbutan-1-amine
PubChem CID83855263
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name2-fluoro-2-methoxy-3,3-dimethylbutan-1-amine
SMILESCOC(F)(CN)C(C)(C)C
InChIInChI=1S/C7H16FNO/c1-6(2,3)7(8,5-9)10-4/h5,9H2,1-4H3
InChIKeyJCZXVOFGDAKJCU-UHFFFAOYSA-N
XLogP1.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methoxy-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-fluoro-2-methoxy-3,3-dimethylbutan-1-amine (CID 83855263) is 2-fluoro-2-methoxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-fluoro-2-methoxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-fluoro-2-methoxy-3,3-dimethylbutan-1-amine is COC(F)(CN)C(C)(C)C.
What is the InChIKey of 2-fluoro-2-methoxy-3,3-dimethylbutan-1-amine?
The InChIKey is JCZXVOFGDAKJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-6(2,3)7(8,5-9)10-4/h5,9H2,1-4H3.
What are the key properties of 2-fluoro-2-methoxy-3,3-dimethylbutan-1-amine?
2-fluoro-2-methoxy-3,3-dimethylbutan-1-amine has a molecular weight of 149.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methoxy-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 83855263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).