3-(2,2-difluoroethoxy)propyl-methylazanide

C6H12F2NO- — CID 155624983

IUPAC3-(2,2-difluoroethoxy)propyl-methylazanide
SMILESC[N-]CCCOCC(F)F
InChIInChI=1S/C6H12F2NO/c1-9-3-2-4-10-5-6(7)8/h6H,2-5H2,1H3/q-1
InChIKeyWVXNTEVLSURDCZ-UHFFFAOYSA-N
MW152.16 g/mol
LogP1.66
Rot. Bonds6

About 3-(2,2-difluoroethoxy)propyl-methylazanide

3-(2,2-difluoroethoxy)propyl-methylazanide (PubChem CID 155624983) has the molecular formula C6H12F2NO- and a molecular weight of 152.16 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)propyl-methylazanide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)propyl-methylazanide
PubChem CID155624983
Molecular FormulaC6H12F2NO-
Molecular Weight152.16 g/mol
Exact Mass152.09
IUPAC Name3-(2,2-difluoroethoxy)propyl-methylazanide
SMILESC[N-]CCCOCC(F)F
InChIInChI=1S/C6H12F2NO/c1-9-3-2-4-10-5-6(7)8/h6H,2-5H2,1H3/q-1
InChIKeyWVXNTEVLSURDCZ-UHFFFAOYSA-N
XLogP1.66
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 51.66
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-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 57680080
3-methoxy-N,N-bis(trifluoromethyl)propan-1-amine
CID 59366578
N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491003
3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 82004246
N,1,2,3,3,3-hexafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)-N-methylpropan-1-amine
CID 137474690
N,1,2,2-tetrafluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-N-methylpropan-1-amine
CID 137474692
3-(difluoromethoxy)-N,N,2-trimethylpropan-1-amine
CID 144385542
3-ethoxy-N-fluoro-N-methylpropan-1-amine
CID 154509635
3-butoxy-N-ethyl-2,2-difluoro-N-methylpropan-1-amine
CID 170216374
2,2-difluoro-N,N-dimethyl-3-propan-2-yloxypropan-1-amine
CID 170412531
2,2-difluoro-3-methoxy-N,N-dimethylpropan-1-amine
CID 170601420

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)propyl-methylazanide?
The IUPAC name of 3-(2,2-difluoroethoxy)propyl-methylazanide (CID 155624983) is 3-(2,2-difluoroethoxy)propyl-methylazanide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)propyl-methylazanide?
The canonical SMILES for 3-(2,2-difluoroethoxy)propyl-methylazanide is C[N-]CCCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)propyl-methylazanide?
The InChIKey is WVXNTEVLSURDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2NO/c1-9-3-2-4-10-5-6(7)8/h6H,2-5H2,1H3/q-1.
What are the key properties of 3-(2,2-difluoroethoxy)propyl-methylazanide?
3-(2,2-difluoroethoxy)propyl-methylazanide has a molecular weight of 152.16 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)propyl-methylazanide is sourced from PubChem (CID 155624983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).