N-(1,1,1-trifluoro-2-phenylpent-4-en-2-yl)hydroxylamine

C11H12F3NO — CID 14764219

IUPACN-(1,1,1-trifluoro-2-phenylpent-4-en-2-yl)hydroxylamine
SMILESC=CCC(NO)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H12F3NO/c1-2-8-10(15-16,11(12,13)14)9-6-4-3-5-7-9/h2-7,15-16H,1,8H2
InChIKeyXWHYNMPHCNJWHN-UHFFFAOYSA-N
MW231.22 g/mol
LogP3.00
Rot. Bonds4

About N-(1,1,1-trifluoro-2-phenylpent-4-en-2-yl)hydroxylamine

N-(1,1,1-trifluoro-2-phenylpent-4-en-2-yl)hydroxylamine (PubChem CID 14764219) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-2-phenylpent-4-en-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-2-phenylpent-4-en-2-yl)hydroxylamine
PubChem CID14764219
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC NameN-(1,1,1-trifluoro-2-phenylpent-4-en-2-yl)hydroxylamine
SMILESC=CCC(NO)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H12F3NO/c1-2-8-10(15-16,11(12,13)14)9-6-4-3-5-7-9/h2-7,15-16H,1,8H2
InChIKeyXWHYNMPHCNJWHN-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-(1,1,1-trifluoro-2-phenylpent-4-en-2-yl)hydroxylamine?
The IUPAC name of N-(1,1,1-trifluoro-2-phenylpent-4-en-2-yl)hydroxylamine (CID 14764219) is N-(1,1,1-trifluoro-2-phenylpent-4-en-2-yl)hydroxylamine.
What is the SMILES notation for N-(1,1,1-trifluoro-2-phenylpent-4-en-2-yl)hydroxylamine?
The canonical SMILES for N-(1,1,1-trifluoro-2-phenylpent-4-en-2-yl)hydroxylamine is C=CCC(NO)(c1ccccc1)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-2-phenylpent-4-en-2-yl)hydroxylamine?
The InChIKey is XWHYNMPHCNJWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-2-8-10(15-16,11(12,13)14)9-6-4-3-5-7-9/h2-7,15-16H,1,8H2.
What are the key properties of N-(1,1,1-trifluoro-2-phenylpent-4-en-2-yl)hydroxylamine?
N-(1,1,1-trifluoro-2-phenylpent-4-en-2-yl)hydroxylamine has a molecular weight of 231.22 g/mol, XLogP of 3.00, 4 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-2-phenylpent-4-en-2-yl)hydroxylamine is sourced from PubChem (CID 14764219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).