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

C5H11F2NO — CID 84716198

IUPAC3-(difluoromethoxy)-2-methylpropan-1-amine
SMILESCC(CN)COC(F)F
InChIInChI=1S/C5H11F2NO/c1-4(2-8)3-9-5(6)7/h4-5H,2-3,8H2,1H3
InChIKeyLEKUBQXJVBPUHV-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.82
Rot. Bonds4

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

3-(difluoromethoxy)-2-methylpropan-1-amine (PubChem CID 84716198) has the molecular formula C5H11F2NO and a molecular weight of 139.15 g/mol. Its IUPAC name is 3-(difluoromethoxy)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)-2-methylpropan-1-amine
PubChem CID84716198
Molecular FormulaC5H11F2NO
Molecular Weight139.15 g/mol
Exact Mass139.08
IUPAC Name3-(difluoromethoxy)-2-methylpropan-1-amine
SMILESCC(CN)COC(F)F
InChIInChI=1S/C5H11F2NO/c1-4(2-8)3-9-5(6)7/h4-5H,2-3,8H2,1H3
InChIKeyLEKUBQXJVBPUHV-UHFFFAOYSA-N
XLogP0.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-Trifluoro-3-methoxy-1-butanamine
CID 21072523
3-Methoxy-2-methylpropan-1-amine
CID 22052176
3-(2,2-Difluoroethoxy)propan-1-amine
CID 58684905
3-(Difluoromethoxy)propan-1-amine
CID 75488618
3-(Trifluoromethoxy)propan-1-amine hydrochloride
CID 121235116
3-(2,2,2-Trifluoroethoxy)propan-1-amine
CID 4737374
3,3,3-Trifluoro-2-(methoxymethyl)propan-1-amine;hydrochloride
CID 170911746
3,3,3-trifluoro-2-(methoxymethyl)-N-methylpropan-1-amine;hydrochloride
CID 177800756
3,3-Difluoro-4-methoxybutan-2-amine
CID 57169440
3-(3,3,3-Trifluoropropoxy)propan-1-amine
CID 58684618
3-(Trifluoromethoxy)propan-1-amine
CID 64984851
1,1,1-Trifluoro-4-methoxybutan-2-amine
CID 64985357

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-2-methylpropan-1-amine?
The IUPAC name of 3-(difluoromethoxy)-2-methylpropan-1-amine (CID 84716198) is 3-(difluoromethoxy)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(difluoromethoxy)-2-methylpropan-1-amine?
The canonical SMILES for 3-(difluoromethoxy)-2-methylpropan-1-amine is CC(CN)COC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-2-methylpropan-1-amine?
The InChIKey is LEKUBQXJVBPUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO/c1-4(2-8)3-9-5(6)7/h4-5H,2-3,8H2,1H3.
What are the key properties of 3-(difluoromethoxy)-2-methylpropan-1-amine?
3-(difluoromethoxy)-2-methylpropan-1-amine has a molecular weight of 139.15 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-2-methylpropan-1-amine is sourced from PubChem (CID 84716198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).