2-(difluoromethoxymethyl)-N-methylbutan-1-amine

C7H15F2NO — CID 84717206

IUPAC2-(difluoromethoxymethyl)-N-methylbutan-1-amine
SMILESCCC(CNC)COC(F)F
InChIInChI=1S/C7H15F2NO/c1-3-6(4-10-2)5-11-7(8)9/h6-7,10H,3-5H2,1-2H3
InChIKeyPSEOGMNCRCAPEV-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.47
Rot. Bonds6

About 2-(difluoromethoxymethyl)-N-methylbutan-1-amine

2-(difluoromethoxymethyl)-N-methylbutan-1-amine (PubChem CID 84717206) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 2-(difluoromethoxymethyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(difluoromethoxymethyl)-N-methylbutan-1-amine
PubChem CID84717206
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name2-(difluoromethoxymethyl)-N-methylbutan-1-amine
SMILESCCC(CNC)COC(F)F
InChIInChI=1S/C7H15F2NO/c1-3-6(4-10-2)5-11-7(8)9/h6-7,10H,3-5H2,1-2H3
InChIKeyPSEOGMNCRCAPEV-UHFFFAOYSA-N
XLogP1.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(Difluoromethoxy)methyl]pyrrolidine
CID 84716441
3,3,3-trifluoro-2-(methoxymethyl)-N-methylpropan-1-amine;hydrochloride
CID 177800756
N-methyl-3-(trifluoromethoxy)propan-1-amine
CID 64984809
4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine
CID 83827235
3-(difluoromethoxy)-N-methylpropan-1-amine
CID 84716193
3-(Trifluoromethoxymethyl)pyrrolidine
CID 86812441
(3R)-3-(trifluoromethoxymethyl)pyrrolidine
CID 98041316
(3S)-3-(trifluoromethoxymethyl)pyrrolidine
CID 98041317
(R)-3-((Difluoromethoxy)methyl)pyrrolidine
CID 124594474
(S)-3-((Difluoromethoxy)methyl)pyrrolidine
CID 124594475
1,1-difluoro-N-[(2-methyloxetan-3-yl)methyl]methanamine
CID 150171638
[3,3-Difluoro-2-(hydroxymethyl)butyl]-methylazanium
CID 153565684

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxymethyl)-N-methylbutan-1-amine?
The IUPAC name of 2-(difluoromethoxymethyl)-N-methylbutan-1-amine (CID 84717206) is 2-(difluoromethoxymethyl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-(difluoromethoxymethyl)-N-methylbutan-1-amine?
The canonical SMILES for 2-(difluoromethoxymethyl)-N-methylbutan-1-amine is CCC(CNC)COC(F)F.
What is the InChIKey of 2-(difluoromethoxymethyl)-N-methylbutan-1-amine?
The InChIKey is PSEOGMNCRCAPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-3-6(4-10-2)5-11-7(8)9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 2-(difluoromethoxymethyl)-N-methylbutan-1-amine?
2-(difluoromethoxymethyl)-N-methylbutan-1-amine has a molecular weight of 167.20 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxymethyl)-N-methylbutan-1-amine is sourced from PubChem (CID 84717206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).