3,3-difluoro-1-methoxy-N-methylbutan-2-amine

C6H13F2NO — CID 130979368

IUPAC3,3-difluoro-1-methoxy-N-methylbutan-2-amine
SMILESCNC(COC)C(C)(F)F
InChIInChI=1S/C6H13F2NO/c1-6(7,8)5(9-2)4-10-3/h5,9H,4H2,1-3H3
InChIKeyOMUIHMPUODAVSU-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.88
Rot. Bonds4

About 3,3-difluoro-1-methoxy-N-methylbutan-2-amine

3,3-difluoro-1-methoxy-N-methylbutan-2-amine (PubChem CID 130979368) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 3,3-difluoro-1-methoxy-N-methylbutan-2-amine.

Molecular Properties

Compound Name3,3-difluoro-1-methoxy-N-methylbutan-2-amine
PubChem CID130979368
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name3,3-difluoro-1-methoxy-N-methylbutan-2-amine
SMILESCNC(COC)C(C)(F)F
InChIInChI=1S/C6H13F2NO/c1-6(7,8)5(9-2)4-10-3/h5,9H,4H2,1-3H3
InChIKeyOMUIHMPUODAVSU-UHFFFAOYSA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methoxy-3,3-dimethylpentan-2-yl)hydrazine
CID 105321734
6-(3-methoxypropoxy)-N,2,2-trimethylhexan-3-amine
CID 103181088
1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine
CID 163765545
(2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 28571144
1,3-dimethoxy-N-methylpropan-2-amine;ethane
CID 171819113
N-(1,1,1-trifluoro-3-methoxypropan-2-yl)propanamide
CID 121359379
(1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine
CID 105321743
1,3-dimethoxy-N,4,4-trimethylpentan-2-amine
CID 116724510
7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine
CID 115517311
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
1-methoxy-N,4,5,5-tetramethylhexan-2-amine
CID 105008981
1,5-dimethoxy-N,5-dimethylheptan-4-amine
CID 114857129

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methoxy-N-methylbutan-2-amine?
The IUPAC name of 3,3-difluoro-1-methoxy-N-methylbutan-2-amine (CID 130979368) is 3,3-difluoro-1-methoxy-N-methylbutan-2-amine.
What is the SMILES notation for 3,3-difluoro-1-methoxy-N-methylbutan-2-amine?
The canonical SMILES for 3,3-difluoro-1-methoxy-N-methylbutan-2-amine is CNC(COC)C(C)(F)F.
What is the InChIKey of 3,3-difluoro-1-methoxy-N-methylbutan-2-amine?
The InChIKey is OMUIHMPUODAVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-6(7,8)5(9-2)4-10-3/h5,9H,4H2,1-3H3.
What are the key properties of 3,3-difluoro-1-methoxy-N-methylbutan-2-amine?
3,3-difluoro-1-methoxy-N-methylbutan-2-amine has a molecular weight of 153.17 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methoxy-N-methylbutan-2-amine is sourced from PubChem (CID 130979368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).