O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]hydroxylamine

C14H18F3NO — CID 67191531

IUPACO-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESNOCc1ccc(C2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)13-8-10(9-19-18)6-7-12(13)11-4-2-1-3-5-11/h6-8,11H,1-5,9,18H2
InChIKeyRPYLWTHLCAULNA-UHFFFAOYSA-N
MW273.30 g/mol
LogP4.14
Rot. Bonds3

About O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]hydroxylamine

O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]hydroxylamine (PubChem CID 67191531) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]hydroxylamine
PubChem CID67191531
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameO-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESNOCc1ccc(C2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)13-8-10(9-19-18)6-7-12(13)11-4-2-1-3-5-11/h6-8,11H,1-5,9,18H2
InChIKeyRPYLWTHLCAULNA-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
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 O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]hydroxylamine (CID 67191531) is O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]hydroxylamine is NOCc1ccc(C2CCCCC2)c(C(F)(F)F)c1.
What is the InChIKey of O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The InChIKey is RPYLWTHLCAULNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)13-8-10(9-19-18)6-7-12(13)11-4-2-1-3-5-11/h6-8,11H,1-5,9,18H2.
What are the key properties of O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]hydroxylamine?
O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]hydroxylamine has a molecular weight of 273.30 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 67191531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).