N-(1,1,1-trifluoro-3-methylbutan-2-yl)hydroxylamine

C5H10F3NO — CID 170174185

IUPACN-(1,1,1-trifluoro-3-methylbutan-2-yl)hydroxylamine
SMILESCC(C)C(NO)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-3(2)4(9-10)5(6,7)8/h3-4,9-10H,1-2H3
InChIKeyFWCARDXBKJQBCE-UHFFFAOYSA-N
MW157.13 g/mol
LogP1.55
Rot. Bonds2

About N-(1,1,1-trifluoro-3-methylbutan-2-yl)hydroxylamine

N-(1,1,1-trifluoro-3-methylbutan-2-yl)hydroxylamine (PubChem CID 170174185) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-3-methylbutan-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-3-methylbutan-2-yl)hydroxylamine
PubChem CID170174185
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC NameN-(1,1,1-trifluoro-3-methylbutan-2-yl)hydroxylamine
SMILESCC(C)C(NO)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-3(2)4(9-10)5(6,7)8/h3-4,9-10H,1-2H3
InChIKeyFWCARDXBKJQBCE-UHFFFAOYSA-N
XLogP1.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-3-methylbutan-2-yl)hydroxylamine?
The IUPAC name of N-(1,1,1-trifluoro-3-methylbutan-2-yl)hydroxylamine (CID 170174185) is N-(1,1,1-trifluoro-3-methylbutan-2-yl)hydroxylamine.
What is the SMILES notation for N-(1,1,1-trifluoro-3-methylbutan-2-yl)hydroxylamine?
The canonical SMILES for N-(1,1,1-trifluoro-3-methylbutan-2-yl)hydroxylamine is CC(C)C(NO)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-3-methylbutan-2-yl)hydroxylamine?
The InChIKey is FWCARDXBKJQBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-3(2)4(9-10)5(6,7)8/h3-4,9-10H,1-2H3.
What are the key properties of N-(1,1,1-trifluoro-3-methylbutan-2-yl)hydroxylamine?
N-(1,1,1-trifluoro-3-methylbutan-2-yl)hydroxylamine has a molecular weight of 157.13 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-3-methylbutan-2-yl)hydroxylamine is sourced from PubChem (CID 170174185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).