2-(difluoromethoxy)-2-methylpropan-1-amine

C5H11F2NO — CID 65053225

IUPAC2-(difluoromethoxy)-2-methylpropan-1-amine
SMILESCC(C)(CN)OC(F)F
InChIInChI=1S/C5H11F2NO/c1-5(2,3-8)9-4(6)7/h4H,3,8H2,1-2H3
InChIKeyQNWFQMHAAZOJNP-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.96
Rot. Bonds3

About 2-(difluoromethoxy)-2-methylpropan-1-amine

2-(difluoromethoxy)-2-methylpropan-1-amine (PubChem CID 65053225) has the molecular formula C5H11F2NO and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-(difluoromethoxy)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(difluoromethoxy)-2-methylpropan-1-amine
PubChem CID65053225
Molecular FormulaC5H11F2NO
Molecular Weight139.15 g/mol
Exact Mass139.08
IUPAC Name2-(difluoromethoxy)-2-methylpropan-1-amine
SMILESCC(C)(CN)OC(F)F
InChIInChI=1S/C5H11F2NO/c1-5(2,3-8)9-4(6)7/h4H,3,8H2,1-2H3
InChIKeyQNWFQMHAAZOJNP-UHFFFAOYSA-N
XLogP0.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-2-methylpropan-1-amine
CID 11789141
2-(Difluoromethoxy)propan-1-amine
CID 84716057
3,3,3-Trifluoro-2-methoxy-2-methylpropan-1-amine hydrochloride
CID 155822428
3,3,3-Trifluoro-2-methoxypropan-1-amine
CID 43752849
(2S)-3,3,3-trifluoro-2-methoxypropan-1-amine
CID 51886548
2-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)oxyethanamine
CID 57917205
3,3,3-Trifluoro-2-methoxy-2-methylpropan-1-amine
CID 58442351
2-Methyl-2-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62355407
3,3-Difluoro-2-methoxypropan-1-amine
CID 84731073
2,3,3,3-Tetrafluoro-2-methoxypropan-1-amine
CID 117809435
3-(Tert-butoxy)-2,2-difluoropropan-1-amine
CID 117970575
3,3,3-Trifluoro-1,2-dimethoxy-2-methylpropan-1-amine
CID 162548306

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-2-methylpropan-1-amine?
The IUPAC name of 2-(difluoromethoxy)-2-methylpropan-1-amine (CID 65053225) is 2-(difluoromethoxy)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(difluoromethoxy)-2-methylpropan-1-amine?
The canonical SMILES for 2-(difluoromethoxy)-2-methylpropan-1-amine is CC(C)(CN)OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-2-methylpropan-1-amine?
The InChIKey is QNWFQMHAAZOJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO/c1-5(2,3-8)9-4(6)7/h4H,3,8H2,1-2H3.
What are the key properties of 2-(difluoromethoxy)-2-methylpropan-1-amine?
2-(difluoromethoxy)-2-methylpropan-1-amine has a molecular weight of 139.15 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-2-methylpropan-1-amine is sourced from PubChem (CID 65053225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).