methyl-[3-(trifluoromethoxy)propyl]azanide

C5H9F3NO- — CID 155624874

IUPACmethyl-[3-(trifluoromethoxy)propyl]azanide
SMILESC[N-]CCCOC(F)(F)F
InChIInChI=1S/C5H9F3NO/c1-9-3-2-4-10-5(6,7)8/h2-4H2,1H3/q-1
InChIKeyQUVSZVSGDQQQMI-UHFFFAOYSA-N
MW156.13 g/mol
LogP1.92
Rot. Bonds4

About methyl-[3-(trifluoromethoxy)propyl]azanide

methyl-[3-(trifluoromethoxy)propyl]azanide (PubChem CID 155624874) has the molecular formula C5H9F3NO- and a molecular weight of 156.13 g/mol. Its IUPAC name is methyl-[3-(trifluoromethoxy)propyl]azanide.

Molecular Properties

Compound Namemethyl-[3-(trifluoromethoxy)propyl]azanide
PubChem CID155624874
Molecular FormulaC5H9F3NO-
Molecular Weight156.13 g/mol
Exact Mass156.06
IUPAC Namemethyl-[3-(trifluoromethoxy)propyl]azanide
SMILESC[N-]CCCOC(F)(F)F
InChIInChI=1S/C5H9F3NO/c1-9-3-2-4-10-5(6,7)8/h2-4H2,1H3/q-1
InChIKeyQUVSZVSGDQQQMI-UHFFFAOYSA-N
XLogP1.92
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.13
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-N,N-dimethyl-1-(2,2,2-trifluoroethoxy)propan-1-amine
CID 166445925
3-(bromomethoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine
CID 58019358
3-methoxy-N,N-bis(trifluoromethyl)propan-1-amine
CID 59366578
N,N-Dimethyl-1-methoxy-2,2,2-trifluoroethanamine
CID 102219162
(2,2-Difluoro-3-methoxypropyl)(methyl)amine
CID 142385899
3-(difluoromethoxy)-N,N,2-trimethylpropan-1-amine
CID 144385542
N,N-dimethyl-3-(trifluoromethoxy)butan-1-amine
CID 170585607
2,2-difluoro-3-methoxy-N,N-dimethylpropan-1-amine
CID 170601420
3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine
CID 170601601
1-(difluoromethoxy)-N,N-dimethylethanamine
CID 174823239
Fluoromethyl-(3-methoxypropyl)-dimethylazanium
CID 176706226
ethane;3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine
CID 176920882

Frequently Asked Questions

What is the IUPAC name of methyl-[3-(trifluoromethoxy)propyl]azanide?
The IUPAC name of methyl-[3-(trifluoromethoxy)propyl]azanide (CID 155624874) is methyl-[3-(trifluoromethoxy)propyl]azanide.
What is the SMILES notation for methyl-[3-(trifluoromethoxy)propyl]azanide?
The canonical SMILES for methyl-[3-(trifluoromethoxy)propyl]azanide is C[N-]CCCOC(F)(F)F.
What is the InChIKey of methyl-[3-(trifluoromethoxy)propyl]azanide?
The InChIKey is QUVSZVSGDQQQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3NO/c1-9-3-2-4-10-5(6,7)8/h2-4H2,1H3/q-1.
What are the key properties of methyl-[3-(trifluoromethoxy)propyl]azanide?
methyl-[3-(trifluoromethoxy)propyl]azanide has a molecular weight of 156.13 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-(trifluoromethoxy)propyl]azanide is sourced from PubChem (CID 155624874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).