N-[4-fluoro-2-[(1S,2S)-2-methoxycyclohexyl]oxyphenyl]hydroxylamine

C13H18FNO3 — CID 118242697

IUPACN-[4-fluoro-2-[(1S,2S)-2-methoxycyclohexyl]oxyphenyl]hydroxylamine
SMILESCO[C@H]1CCCC[C@@H]1Oc1cc(F)ccc1NO
InChIInChI=1S/C13H18FNO3/c1-17-11-4-2-3-5-12(11)18-13-8-9(14)6-7-10(13)15-16/h6-8,11-12,15-16H,2-5H2,1H3/t11-,12-/m0/s1
InChIKeyQMWDDKCJNJYMGD-RYUDHWBXSA-N
MW255.29 g/mol
LogP2.96
Rot. Bonds4

About N-[4-fluoro-2-[(1S,2S)-2-methoxycyclohexyl]oxyphenyl]hydroxylamine

N-[4-fluoro-2-[(1S,2S)-2-methoxycyclohexyl]oxyphenyl]hydroxylamine (PubChem CID 118242697) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is N-[4-fluoro-2-[(1S,2S)-2-methoxycyclohexyl]oxyphenyl]hydroxylamine.

Molecular Properties

Compound NameN-[4-fluoro-2-[(1S,2S)-2-methoxycyclohexyl]oxyphenyl]hydroxylamine
PubChem CID118242697
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC NameN-[4-fluoro-2-[(1S,2S)-2-methoxycyclohexyl]oxyphenyl]hydroxylamine
SMILESCO[C@H]1CCCC[C@@H]1Oc1cc(F)ccc1NO
InChIInChI=1S/C13H18FNO3/c1-17-11-4-2-3-5-12(11)18-13-8-9(14)6-7-10(13)15-16/h6-8,11-12,15-16H,2-5H2,1H3/t11-,12-/m0/s1
InChIKeyQMWDDKCJNJYMGD-RYUDHWBXSA-N
XLogP2.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[4-fluoro-2-[(1S,2S)-2-methoxycyclohexyl]oxyphenyl]hydroxylamine?
The IUPAC name of N-[4-fluoro-2-[(1S,2S)-2-methoxycyclohexyl]oxyphenyl]hydroxylamine (CID 118242697) is N-[4-fluoro-2-[(1S,2S)-2-methoxycyclohexyl]oxyphenyl]hydroxylamine.
What is the SMILES notation for N-[4-fluoro-2-[(1S,2S)-2-methoxycyclohexyl]oxyphenyl]hydroxylamine?
The canonical SMILES for N-[4-fluoro-2-[(1S,2S)-2-methoxycyclohexyl]oxyphenyl]hydroxylamine is CO[C@H]1CCCC[C@@H]1Oc1cc(F)ccc1NO.
What is the InChIKey of N-[4-fluoro-2-[(1S,2S)-2-methoxycyclohexyl]oxyphenyl]hydroxylamine?
The InChIKey is QMWDDKCJNJYMGD-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-17-11-4-2-3-5-12(11)18-13-8-9(14)6-7-10(13)15-16/h6-8,11-12,15-16H,2-5H2,1H3/t11-,12-/m0/s1.
What are the key properties of N-[4-fluoro-2-[(1S,2S)-2-methoxycyclohexyl]oxyphenyl]hydroxylamine?
N-[4-fluoro-2-[(1S,2S)-2-methoxycyclohexyl]oxyphenyl]hydroxylamine has a molecular weight of 255.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-[(1S,2S)-2-methoxycyclohexyl]oxyphenyl]hydroxylamine is sourced from PubChem (CID 118242697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).