N-[2-methyl-2-(trifluoromethyl)butylidene]hydroxylamine

C6H10F3NO — CID 170051513

IUPACN-[2-methyl-2-(trifluoromethyl)butylidene]hydroxylamine
SMILESCCC(C)(C=NO)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-3-5(2,4-10-11)6(7,8)9/h4,11H,3H2,1-2H3
InChIKeyVDTXSRDCFHHUSR-UHFFFAOYSA-N
MW169.15 g/mol
LogP2.42
Rot. Bonds2

About N-[2-methyl-2-(trifluoromethyl)butylidene]hydroxylamine

N-[2-methyl-2-(trifluoromethyl)butylidene]hydroxylamine (PubChem CID 170051513) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is N-[2-methyl-2-(trifluoromethyl)butylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-methyl-2-(trifluoromethyl)butylidene]hydroxylamine
PubChem CID170051513
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC NameN-[2-methyl-2-(trifluoromethyl)butylidene]hydroxylamine
SMILESCCC(C)(C=NO)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-3-5(2,4-10-11)6(7,8)9/h4,11H,3H2,1-2H3
InChIKeyVDTXSRDCFHHUSR-UHFFFAOYSA-N
XLogP2.42
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-methyl-2-(trifluoromethyl)butylidene]hydroxylamine?
The IUPAC name of N-[2-methyl-2-(trifluoromethyl)butylidene]hydroxylamine (CID 170051513) is N-[2-methyl-2-(trifluoromethyl)butylidene]hydroxylamine.
What is the SMILES notation for N-[2-methyl-2-(trifluoromethyl)butylidene]hydroxylamine?
The canonical SMILES for N-[2-methyl-2-(trifluoromethyl)butylidene]hydroxylamine is CCC(C)(C=NO)C(F)(F)F.
What is the InChIKey of N-[2-methyl-2-(trifluoromethyl)butylidene]hydroxylamine?
The InChIKey is VDTXSRDCFHHUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-3-5(2,4-10-11)6(7,8)9/h4,11H,3H2,1-2H3.
What are the key properties of N-[2-methyl-2-(trifluoromethyl)butylidene]hydroxylamine?
N-[2-methyl-2-(trifluoromethyl)butylidene]hydroxylamine has a molecular weight of 169.15 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(trifluoromethyl)butylidene]hydroxylamine is sourced from PubChem (CID 170051513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).