(NE)-N-(1,1-difluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine

C7H13F2NO2 — CID 88811801

IUPAC(NE)-N-(1,1-difluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine
SMILESCOCC(C)(C)/C(=N\O)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-7(2,4-12-3)5(10-11)6(8)9/h6,11H,4H2,1-3H3/b10-5-
InChIKeyIRGGMDMILODBPY-YHYXMXQVSA-N
MW181.18 g/mol
LogP1.75
Rot. Bonds4

About (NE)-N-(1,1-difluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine

(NE)-N-(1,1-difluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine (PubChem CID 88811801) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is (NE)-N-(1,1-difluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1,1-difluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine
PubChem CID88811801
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name(NE)-N-(1,1-difluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine
SMILESCOCC(C)(C)/C(=N\O)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-7(2,4-12-3)5(10-11)6(8)9/h6,11H,4H2,1-3H3/b10-5-
InChIKeyIRGGMDMILODBPY-YHYXMXQVSA-N
XLogP1.75
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol
CID 88811195
4-Fluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol
CID 88811197
(NE)-N-(1-fluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 88811523
N-(1-fluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 88811524
N-(1,1-difluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 88811803
(3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol
CID 88812118
4,4-Difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol
CID 88812120
3,4-dimethyl-4-(trifluoromethyl)-5H-1,2-oxazole
CID 151579195
(NE)-N-(1-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 130318920
(NZ)-N-(1-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 21565393

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1,1-difluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1,1-difluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine (CID 88811801) is (NE)-N-(1,1-difluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1,1-difluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1,1-difluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine is COCC(C)(C)/C(=N\O)C(F)F.
What is the InChIKey of (NE)-N-(1,1-difluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine?
The InChIKey is IRGGMDMILODBPY-YHYXMXQVSA-N. The full InChI is InChI=1S/C7H13F2NO2/c1-7(2,4-12-3)5(10-11)6(8)9/h6,11H,4H2,1-3H3/b10-5-.
What are the key properties of (NE)-N-(1,1-difluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine?
(NE)-N-(1,1-difluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine has a molecular weight of 181.18 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1,1-difluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 88811801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).