(2S)-2-fluoro-2-(methoxymethyl)-N,N-dimethylbutan-1-amine

C8H18FNO — CID 156843552

IUPAC(2S)-2-fluoro-2-(methoxymethyl)-N,N-dimethylbutan-1-amine
SMILESCC[C@@](F)(COC)CN(C)C
InChIInChI=1S/C8H18FNO/c1-5-8(9,7-11-4)6-10(2)3/h5-7H2,1-4H3/t8-/m0/s1
InChIKeyQAOSOESXHDJPCD-QMMMGPOBSA-N
MW163.24 g/mol
LogP1.31
Rot. Bonds5

About (2S)-2-fluoro-2-(methoxymethyl)-N,N-dimethylbutan-1-amine

(2S)-2-fluoro-2-(methoxymethyl)-N,N-dimethylbutan-1-amine (PubChem CID 156843552) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is (2S)-2-fluoro-2-(methoxymethyl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name(2S)-2-fluoro-2-(methoxymethyl)-N,N-dimethylbutan-1-amine
PubChem CID156843552
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC Name(2S)-2-fluoro-2-(methoxymethyl)-N,N-dimethylbutan-1-amine
SMILESCC[C@@](F)(COC)CN(C)C
InChIInChI=1S/C8H18FNO/c1-5-8(9,7-11-4)6-10(2)3/h5-7H2,1-4H3/t8-/m0/s1
InChIKeyQAOSOESXHDJPCD-QMMMGPOBSA-N
XLogP1.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(fluoromethoxy)-N,N-dimethylbutan-1-amine
CID 142468528
3-fluoro-3-(methoxymethyl)-N,N-dimethylpentan-1-amine
CID 143182328
(2R)-2-fluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]-N-methylbutan-1-amine
CID 167216525
1-[2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N,N-dimethylmethanamine;ethane
CID 172328720
2-(Methoxymethyl)butyl-trimethylazanium
CID 59940216
4-methoxy-N,N,3-trimethylbutan-1-amine
CID 89848357
N-ethyl-1-methoxy-N,3-dimethylbutan-1-amine
CID 90974775
1-methoxy-N,N,2-trimethylbutan-1-amine
CID 91572935
2-(methoxymethyl)-N,N-dimethylbutan-1-amine
CID 118122887
N-ethyl-N-(3-methoxypropyl)-2-methylbutan-1-amine
CID 124027648
2-(methoxymethyl)-N,N,2-trimethylbutan-1-amine
CID 139927586
N,N-diethyl-2-(methoxymethyl)-2-methylbutan-1-amine
CID 139968920

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-2-(methoxymethyl)-N,N-dimethylbutan-1-amine?
The IUPAC name of (2S)-2-fluoro-2-(methoxymethyl)-N,N-dimethylbutan-1-amine (CID 156843552) is (2S)-2-fluoro-2-(methoxymethyl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for (2S)-2-fluoro-2-(methoxymethyl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for (2S)-2-fluoro-2-(methoxymethyl)-N,N-dimethylbutan-1-amine is CC[C@@](F)(COC)CN(C)C.
What is the InChIKey of (2S)-2-fluoro-2-(methoxymethyl)-N,N-dimethylbutan-1-amine?
The InChIKey is QAOSOESXHDJPCD-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18FNO/c1-5-8(9,7-11-4)6-10(2)3/h5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-2-fluoro-2-(methoxymethyl)-N,N-dimethylbutan-1-amine?
(2S)-2-fluoro-2-(methoxymethyl)-N,N-dimethylbutan-1-amine has a molecular weight of 163.24 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-2-(methoxymethyl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 156843552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).