N-(1-fluoro-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine

C7H14FNOS — CID 88811282

IUPACN-(1-fluoro-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine
SMILESCSCC(C)(C)C(CF)=NO
InChIInChI=1S/C7H14FNOS/c1-7(2,5-11-3)6(4-8)9-10/h10H,4-5H2,1-3H3
InChIKeyZZRUORGRIMLORE-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.18
Rot. Bonds4

About N-(1-fluoro-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine

N-(1-fluoro-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine (PubChem CID 88811282) has the molecular formula C7H14FNOS and a molecular weight of 179.26 g/mol. Its IUPAC name is N-(1-fluoro-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-fluoro-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine
PubChem CID88811282
Molecular FormulaC7H14FNOS
Molecular Weight179.26 g/mol
Exact Mass179.08
IUPAC NameN-(1-fluoro-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine
SMILESCSCC(C)(C)C(CF)=NO
InChIInChI=1S/C7H14FNOS/c1-7(2,5-11-3)6(4-8)9-10/h10H,4-5H2,1-3H3
InChIKeyZZRUORGRIMLORE-UHFFFAOYSA-N
XLogP2.18
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.18
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

2-Butanone, 3,3-dimethyl-1-(methylthio)-, oxime
CID 6518735
2-Butanone, 3,3-dimethyl-1-(methylsulfinyl)-, oxime
CID 9570574
1-Methylthio-3,3-dimethyl-2-butanone oxime
CID 38232
3,3-Dimethyl-1-(methylsulfanyl)butan-2-one oxime
CID 5361040
N-(3,3-dimethyl-1-methylsulfinylbutan-2-ylidene)hydroxylamine
CID 38234
methyl (1Z)-4-fluoro-N-hydroxy-3,3-dimethylbutanimidothioate
CID 20550964
(NZ)-N-[1-(difluoromethylsulfanyl)-3,3-dimethylbutan-2-ylidene]hydroxylamine
CID 21566526
methyl 4-fluoro-N-hydroxy-3,3-dimethylbutanimidothioate
CID 73683231
1-Difluoromethylthio-3,3-dimethyl-2-butanone oxime
CID 73796237
3,3-Dimethyl-4-fluoro-1-methylthio-2-hydroximino-butane
CID 88751484
(NE)-N-(1-fluoro-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine
CID 88811281
(NE)-N-(1,1-difluoro-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine
CID 88811829

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine?
The IUPAC name of N-(1-fluoro-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine (CID 88811282) is N-(1-fluoro-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(1-fluoro-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(1-fluoro-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine is CSCC(C)(C)C(CF)=NO.
What is the InChIKey of N-(1-fluoro-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine?
The InChIKey is ZZRUORGRIMLORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNOS/c1-7(2,5-11-3)6(4-8)9-10/h10H,4-5H2,1-3H3.
What are the key properties of N-(1-fluoro-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine?
N-(1-fluoro-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine has a molecular weight of 179.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-3,3-dimethyl-4-methylsulfanylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 88811282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).