2-(difluoromethoxy)-3-methylbutan-1-amine

C6H13F2NO — CID 84716513

IUPAC2-(difluoromethoxy)-3-methylbutan-1-amine
SMILESCC(C)C(CN)OC(F)F
InChIInChI=1S/C6H13F2NO/c1-4(2)5(3-9)10-6(7)8/h4-6H,3,9H2,1-2H3
InChIKeyDQYYHLBEBORNDN-UHFFFAOYSA-N
MW153.17 g/mol
LogP1.21
Rot. Bonds4

About 2-(difluoromethoxy)-3-methylbutan-1-amine

2-(difluoromethoxy)-3-methylbutan-1-amine (PubChem CID 84716513) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-methylbutan-1-amine
PubChem CID84716513
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name2-(difluoromethoxy)-3-methylbutan-1-amine
SMILESCC(C)C(CN)OC(F)F
InChIInChI=1S/C6H13F2NO/c1-4(2)5(3-9)10-6(7)8/h4-6H,3,9H2,1-2H3
InChIKeyDQYYHLBEBORNDN-UHFFFAOYSA-N
XLogP1.21
TPSA35.25 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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-3-methylbutan-1-amine
CID 45074955
3,3,3-Trifluoro-2-methoxypropan-1-amine hydrochloride
CID 54593160
2-(Difluoromethoxy)propan-1-amine
CID 84716057
3,3-Difluoro-2-methoxypropan-1-aminehydrochloride
CID 165750490
3,3,3-Trifluoro-2-methoxypropan-1-amine
CID 43752849
2-Ethoxy-3,3,3-trifluoropropan-1-amine
CID 43752850
(2S)-3,3,3-trifluoro-2-methoxypropan-1-amine
CID 51886548
2-(2,2-Difluoroethoxy)propan-1-amine
CID 58684022
2-(2,2,2-Trifluoroethoxy)propan-1-amine
CID 58684937
3,3-Difluoro-2-methoxypropan-1-amine
CID 84731073
(2S)-2-ethoxy-3,3,3-trifluoropropan-1-amine
CID 88916802
1,1-Difluoro-2-methoxybutane-1,4-diamine
CID 90445654

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-methylbutan-1-amine?
The IUPAC name of 2-(difluoromethoxy)-3-methylbutan-1-amine (CID 84716513) is 2-(difluoromethoxy)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(difluoromethoxy)-3-methylbutan-1-amine?
The canonical SMILES for 2-(difluoromethoxy)-3-methylbutan-1-amine is CC(C)C(CN)OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3-methylbutan-1-amine?
The InChIKey is DQYYHLBEBORNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-4(2)5(3-9)10-6(7)8/h4-6H,3,9H2,1-2H3.
What are the key properties of 2-(difluoromethoxy)-3-methylbutan-1-amine?
2-(difluoromethoxy)-3-methylbutan-1-amine has a molecular weight of 153.17 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-methylbutan-1-amine is sourced from PubChem (CID 84716513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).