N-[5-propan-2-yl-2-(trifluoromethyl)thiolan-3-ylidene]hydroxylamine

C8H12F3NOS — CID 174335111

IUPACN-[5-propan-2-yl-2-(trifluoromethyl)thiolan-3-ylidene]hydroxylamine
SMILESCC(C)C1CC(=NO)C(C(F)(F)F)S1
InChIInChI=1S/C8H12F3NOS/c1-4(2)6-3-5(12-13)7(14-6)8(9,10)11/h4,6-7,13H,3H2,1-2H3
InChIKeyCGUWQOJKDZZLIV-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.91
Rot. Bonds1

About N-[5-propan-2-yl-2-(trifluoromethyl)thiolan-3-ylidene]hydroxylamine

N-[5-propan-2-yl-2-(trifluoromethyl)thiolan-3-ylidene]hydroxylamine (PubChem CID 174335111) has the molecular formula C8H12F3NOS and a molecular weight of 227.25 g/mol. Its IUPAC name is N-[5-propan-2-yl-2-(trifluoromethyl)thiolan-3-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-propan-2-yl-2-(trifluoromethyl)thiolan-3-ylidene]hydroxylamine
PubChem CID174335111
Molecular FormulaC8H12F3NOS
Molecular Weight227.25 g/mol
Exact Mass227.06
IUPAC NameN-[5-propan-2-yl-2-(trifluoromethyl)thiolan-3-ylidene]hydroxylamine
SMILESCC(C)C1CC(=NO)C(C(F)(F)F)S1
InChIInChI=1S/C8H12F3NOS/c1-4(2)6-3-5(12-13)7(14-6)8(9,10)11/h4,6-7,13H,3H2,1-2H3
InChIKeyCGUWQOJKDZZLIV-UHFFFAOYSA-N
XLogP2.91
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.91
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 N-[5-propan-2-yl-2-(trifluoromethyl)thiolan-3-ylidene]hydroxylamine?
The IUPAC name of N-[5-propan-2-yl-2-(trifluoromethyl)thiolan-3-ylidene]hydroxylamine (CID 174335111) is N-[5-propan-2-yl-2-(trifluoromethyl)thiolan-3-ylidene]hydroxylamine.
What is the SMILES notation for N-[5-propan-2-yl-2-(trifluoromethyl)thiolan-3-ylidene]hydroxylamine?
The canonical SMILES for N-[5-propan-2-yl-2-(trifluoromethyl)thiolan-3-ylidene]hydroxylamine is CC(C)C1CC(=NO)C(C(F)(F)F)S1.
What is the InChIKey of N-[5-propan-2-yl-2-(trifluoromethyl)thiolan-3-ylidene]hydroxylamine?
The InChIKey is CGUWQOJKDZZLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NOS/c1-4(2)6-3-5(12-13)7(14-6)8(9,10)11/h4,6-7,13H,3H2,1-2H3.
What are the key properties of N-[5-propan-2-yl-2-(trifluoromethyl)thiolan-3-ylidene]hydroxylamine?
N-[5-propan-2-yl-2-(trifluoromethyl)thiolan-3-ylidene]hydroxylamine has a molecular weight of 227.25 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-propan-2-yl-2-(trifluoromethyl)thiolan-3-ylidene]hydroxylamine is sourced from PubChem (CID 174335111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).