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

C7H14FNOS — CID 173438857

IUPAC(NE)-N-(4-fluoro-3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine
SMILESCSC/C(=N/O)C(C)(C)CF
InChIInChI=1S/C7H14FNOS/c1-7(2,5-8)6(9-10)4-11-3/h10H,4-5H2,1-3H3/b9-6-
InChIKeyFSFDJCBVLUSLSU-TWGQIWQCSA-N
MW179.26 g/mol
LogP2.18
Rot. Bonds4

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

(NE)-N-(4-fluoro-3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine (PubChem CID 173438857) has the molecular formula C7H14FNOS and a molecular weight of 179.26 g/mol. Its IUPAC name is (NE)-N-(4-fluoro-3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(4-fluoro-3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine
PubChem CID173438857
Molecular FormulaC7H14FNOS
Molecular Weight179.26 g/mol
Exact Mass179.08
IUPAC Name(NE)-N-(4-fluoro-3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine
SMILESCSC/C(=N/O)C(C)(C)CF
InChIInChI=1S/C7H14FNOS/c1-7(2,5-8)6(9-10)4-11-3/h10H,4-5H2,1-3H3/b9-6-
InChIKeyFSFDJCBVLUSLSU-TWGQIWQCSA-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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(4-fluoro-3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(4-fluoro-3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine (CID 173438857) is (NE)-N-(4-fluoro-3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(4-fluoro-3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(4-fluoro-3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine is CSC/C(=N/O)C(C)(C)CF.
What is the InChIKey of (NE)-N-(4-fluoro-3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine?
The InChIKey is FSFDJCBVLUSLSU-TWGQIWQCSA-N. The full InChI is InChI=1S/C7H14FNOS/c1-7(2,5-8)6(9-10)4-11-3/h10H,4-5H2,1-3H3/b9-6-.
What are the key properties of (NE)-N-(4-fluoro-3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine?
(NE)-N-(4-fluoro-3,3-dimethyl-1-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 (NE)-N-(4-fluoro-3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 173438857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).