2,3,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine

C5H9F4NO — CID 131206798

IUPAC2,3,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine
SMILESCON(C)CC(F)C(F)(F)F
InChIInChI=1S/C5H9F4NO/c1-10(11-2)3-4(6)5(7,8)9/h4H,3H2,1-2H3
InChIKeyZGJJOQIFBMDSDF-UHFFFAOYSA-N
MW175.12 g/mol
LogP1.38
Rot. Bonds3

About 2,3,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine

2,3,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine (PubChem CID 131206798) has the molecular formula C5H9F4NO and a molecular weight of 175.12 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine
PubChem CID131206798
Molecular FormulaC5H9F4NO
Molecular Weight175.12 g/mol
Exact Mass175.06
IUPAC Name2,3,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine
SMILESCON(C)CC(F)C(F)(F)F
InChIInChI=1S/C5H9F4NO/c1-10(11-2)3-4(6)5(7,8)9/h4H,3H2,1-2H3
InChIKeyZGJJOQIFBMDSDF-UHFFFAOYSA-N
XLogP1.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.12
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-Methoxy-N-(2-hydroperfluoroisobutyl)methylamine
CID 541711
Kynfmbqjmyvgsr-uhfffaoysa-
CID 23262288
2,2,2-trifluoro-N-methoxy-N-methylethanamine
CID 89311692
N-methyl-N-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 122598992
N-methyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine
CID 122598994
N-ethyl-N-(2,2,3,3,3-pentafluoropropoxy)ethanamine
CID 134389632
1,1,1-trifluoro-N-methoxy-N-methylpropan-2-amine
CID 153536054
N-propyl-N-(trifluoromethyl)hydroxylamine
CID 156081562
2,2-difluoro-N-methoxy-N-methylethanamine
CID 130900855
3,3,3-trifluoro-N-methoxy-N,2-dimethylpropan-1-amine
CID 131206796
2,2,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine
CID 131206797
N-methyl-N-(2,3,3,3-tetrafluoropropyl)hydroxylamine
CID 165632503

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine?
The IUPAC name of 2,3,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine (CID 131206798) is 2,3,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 2,3,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 2,3,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine is CON(C)CC(F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine?
The InChIKey is ZGJJOQIFBMDSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F4NO/c1-10(11-2)3-4(6)5(7,8)9/h4H,3H2,1-2H3.
What are the key properties of 2,3,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine?
2,3,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine has a molecular weight of 175.12 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 131206798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).