2-fluoro-2-methoxy-3-methylbutan-1-amine

C6H14FNO — CID 83855185

IUPAC2-fluoro-2-methoxy-3-methylbutan-1-amine
SMILESCOC(F)(CN)C(C)C
InChIInChI=1S/C6H14FNO/c1-5(2)6(7,4-8)9-3/h5H,4,8H2,1-3H3
InChIKeyVKLOPSXUWMBOMO-UHFFFAOYSA-N
MW135.18 g/mol
LogP0.91
Rot. Bonds3

About 2-fluoro-2-methoxy-3-methylbutan-1-amine

2-fluoro-2-methoxy-3-methylbutan-1-amine (PubChem CID 83855185) has the molecular formula C6H14FNO and a molecular weight of 135.18 g/mol. Its IUPAC name is 2-fluoro-2-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-methoxy-3-methylbutan-1-amine
PubChem CID83855185
Molecular FormulaC6H14FNO
Molecular Weight135.18 g/mol
Exact Mass135.11
IUPAC Name2-fluoro-2-methoxy-3-methylbutan-1-amine
SMILESCOC(F)(CN)C(C)C
InChIInChI=1S/C6H14FNO/c1-5(2)6(7,4-8)9-3/h5H,4,8H2,1-3H3
InChIKeyVKLOPSXUWMBOMO-UHFFFAOYSA-N
XLogP0.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-3-methylbutan-1-amine
CID 45074955
2-Methoxy-2-methylbutan-1-amine
CID 62353625
2-(Difluoromethoxy)-2-methylbutan-1-amine
CID 65053075
2-(2-Fluoroethoxy)-2-methylbutan-1-amine
CID 80698825
2-Fluoro-2-methoxypropan-1-amine
CID 83855141
2-Fluoro-2-methoxy-3,3-dimethylbutan-1-amine
CID 83855263
2-(Difluoromethoxy)-3-methylbutan-1-amine
CID 84716513
3-Fluoro-2-methoxy-3-methylbutan-1-amine
CID 84731109
4,4,4-Trifluoro-2-methoxy-2-methylbutan-1-amine
CID 105434672
2-Methyl-2-(trifluoromethoxy)butan-1-amine
CID 130569951
4-Fluoro-2-methoxy-2-methylbutan-1-amine
CID 165615454
3,3,4,4,4-Pentafluoro-2-methoxy-2-methylbutan-1-amine
CID 165633613

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methoxy-3-methylbutan-1-amine?
The IUPAC name of 2-fluoro-2-methoxy-3-methylbutan-1-amine (CID 83855185) is 2-fluoro-2-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 2-fluoro-2-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 2-fluoro-2-methoxy-3-methylbutan-1-amine is COC(F)(CN)C(C)C.
What is the InChIKey of 2-fluoro-2-methoxy-3-methylbutan-1-amine?
The InChIKey is VKLOPSXUWMBOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO/c1-5(2)6(7,4-8)9-3/h5H,4,8H2,1-3H3.
What are the key properties of 2-fluoro-2-methoxy-3-methylbutan-1-amine?
2-fluoro-2-methoxy-3-methylbutan-1-amine has a molecular weight of 135.18 g/mol, XLogP of 0.91, 3 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-methylbutan-1-amine is sourced from PubChem (CID 83855185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).