1-(difluoromethoxy)-N,N-dimethylethanamine

C5H11F2NO — CID 174823239

IUPAC1-(difluoromethoxy)-N,N-dimethylethanamine
SMILESCC(OC(F)F)N(C)C
InChIInChI=1S/C5H11F2NO/c1-4(8(2)3)9-5(6)7/h4-5H,1-3H3
InChIKeyPDZNFTINQIIOQW-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.13
Rot. Bonds3

About 1-(difluoromethoxy)-N,N-dimethylethanamine

1-(difluoromethoxy)-N,N-dimethylethanamine (PubChem CID 174823239) has the molecular formula C5H11F2NO and a molecular weight of 139.15 g/mol. Its IUPAC name is 1-(difluoromethoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(difluoromethoxy)-N,N-dimethylethanamine
PubChem CID174823239
Molecular FormulaC5H11F2NO
Molecular Weight139.15 g/mol
Exact Mass139.08
IUPAC Name1-(difluoromethoxy)-N,N-dimethylethanamine
SMILESCC(OC(F)F)N(C)C
InChIInChI=1S/C5H11F2NO/c1-4(8(2)3)9-5(6)7/h4-5H,1-3H3
InChIKeyPDZNFTINQIIOQW-UHFFFAOYSA-N
XLogP1.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Potassium 1-(dimethylamino)-2,2,2-trifluoroethanolate
CID 23704112
(1R)-N,N-dimethyl-1-(2,2,2-trifluoroethoxy)propan-1-amine
CID 166445925
N-ethyl-2,2,2-trifluoro-N-(2-methoxyethyl)ethanamine
CID 57680062
2,2,2-trifluoro-N-(2-methoxyethyl)-N-methylethanamine
CID 57960216
3-methoxy-N,N-bis(trifluoromethyl)propan-1-amine
CID 59366578
N-(1,1-difluoropropoxymethyl)-N-methylethanamine
CID 88886756
N,N-Dimethyl-1-methoxy-2,2,2-trifluoroethanamine
CID 102219162
2-(difluoromethoxy)-N,N-dimethylethanamine
CID 122581358
N,N-dimethyl-2-(trifluoromethoxy)ethanamine
CID 122581363
2-(difluoromethoxy)-N-ethyl-N-methylethanamine
CID 130226144
N-ethyl-N-methyl-2-(trifluoromethoxy)ethanamine
CID 132011840
1-ethoxy-2,2,2-trifluoro-N,N-dimethylethanamine
CID 138517374

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-N,N-dimethylethanamine?
The IUPAC name of 1-(difluoromethoxy)-N,N-dimethylethanamine (CID 174823239) is 1-(difluoromethoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(difluoromethoxy)-N,N-dimethylethanamine?
The canonical SMILES for 1-(difluoromethoxy)-N,N-dimethylethanamine is CC(OC(F)F)N(C)C.
What is the InChIKey of 1-(difluoromethoxy)-N,N-dimethylethanamine?
The InChIKey is PDZNFTINQIIOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO/c1-4(8(2)3)9-5(6)7/h4-5H,1-3H3.
What are the key properties of 1-(difluoromethoxy)-N,N-dimethylethanamine?
1-(difluoromethoxy)-N,N-dimethylethanamine has a molecular weight of 139.15 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 174823239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).