2-(difluoromethoxymethyl)butan-1-amine

C6H13F2NO — CID 84716515

IUPAC2-(difluoromethoxymethyl)butan-1-amine
SMILESCCC(CN)COC(F)F
InChIInChI=1S/C6H13F2NO/c1-2-5(3-9)4-10-6(7)8/h5-6H,2-4,9H2,1H3
InChIKeyWBCOONIPLCEBRX-UHFFFAOYSA-N
MW153.17 g/mol
LogP1.21
Rot. Bonds5

About 2-(difluoromethoxymethyl)butan-1-amine

2-(difluoromethoxymethyl)butan-1-amine (PubChem CID 84716515) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 2-(difluoromethoxymethyl)butan-1-amine.

Molecular Properties

Compound Name2-(difluoromethoxymethyl)butan-1-amine
PubChem CID84716515
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name2-(difluoromethoxymethyl)butan-1-amine
SMILESCCC(CN)COC(F)F
InChIInChI=1S/C6H13F2NO/c1-2-5(3-9)4-10-6(7)8/h5-6H,2-4,9H2,1H3
InChIKeyWBCOONIPLCEBRX-UHFFFAOYSA-N
XLogP1.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Fluoromethoxy)-2-methylpropan-1-amine
CID 88585743
3-Methyl-1-(2,2,2-trifluoroethoxy)butan-1-amine
CID 123923046
(2,2-Difluorocyclopropyl)-methoxymethanamine
CID 134455963
2,2-Difluoro-3-(2-methylpropoxy)propan-1-amine
CID 138478658
1-(Trifluoromethoxy)butan-1-amine
CID 158341195
1-[2,2-Difluoro-1-(methoxymethyl)cyclopropyl]methanamine
CID 165643801
(1S)-3-methyl-1-(trifluoromethoxy)butan-1-amine
CID 177117874
(1S)-1-(difluoromethoxy)-3-methylbutan-1-amine
CID 177282070
2-Methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 43175045
2-Methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-1-amine
CID 43368517
4,4,4-Trifluoro-3-(3-methylbutoxy)butan-1-amine
CID 43753301
2-Methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62505182

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxymethyl)butan-1-amine?
The IUPAC name of 2-(difluoromethoxymethyl)butan-1-amine (CID 84716515) is 2-(difluoromethoxymethyl)butan-1-amine.
What is the SMILES notation for 2-(difluoromethoxymethyl)butan-1-amine?
The canonical SMILES for 2-(difluoromethoxymethyl)butan-1-amine is CCC(CN)COC(F)F.
What is the InChIKey of 2-(difluoromethoxymethyl)butan-1-amine?
The InChIKey is WBCOONIPLCEBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-2-5(3-9)4-10-6(7)8/h5-6H,2-4,9H2,1H3.
What are the key properties of 2-(difluoromethoxymethyl)butan-1-amine?
2-(difluoromethoxymethyl)butan-1-amine has a molecular weight of 153.17 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxymethyl)butan-1-amine is sourced from PubChem (CID 84716515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).