O-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine

C9H12FNO — CID 117276742

IUPACO-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine
SMILESCC(F)c1ccc(CON)cc1
InChIInChI=1S/C9H12FNO/c1-7(10)9-4-2-8(3-5-9)6-12-11/h2-5,7H,6,11H2,1H3
InChIKeyIMNHHHPABHBBKJ-UHFFFAOYSA-N
MW169.20 g/mol
LogP2.11
Rot. Bonds3

About O-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine

O-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine (PubChem CID 117276742) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is O-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine
PubChem CID117276742
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC NameO-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine
SMILESCC(F)c1ccc(CON)cc1
InChIInChI=1S/C9H12FNO/c1-7(10)9-4-2-8(3-5-9)6-12-11/h2-5,7H,6,11H2,1H3
InChIKeyIMNHHHPABHBBKJ-UHFFFAOYSA-N
XLogP2.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 52.11
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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Related Compounds

O-[[4-(difluoromethyl)phenyl]methyl]hydroxylamine
CID 117276972
4-(aminooxymethyl)-2-(1-fluoroethyl)phenol
CID 117280118
3-[4-(1-fluoroethyl)phenyl]propan-1-amine
CID 84658143
4-[(1R)-1-fluoroethyl]phenol
CID 124547590
methane;O-[(4-methoxyphenyl)methyl]hydroxylamine
CID 142048761
ethyl 3-[4-[[4-(1-fluoroethyl)phenyl]methoxy]phenyl]propanoate
CID 130351126
O-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]hydroxylamine
CID 54449973
1-(1-fluoroethyl)-4-propan-2-ylbenzene;hydrofluoride
CID 174326985
3-[4-(1-fluoroethyl)phenyl]-2-methylpropanoic acid
CID 84677758
[4-(1-fluoroethyl)phenyl]methanesulfonyl chloride
CID 117345802
2-[4-(aminooxymethyl)phenyl]-2-methylpropan-1-ol
CID 117111172
O-[(3-chloro-4-propan-2-ylphenyl)methyl]hydroxylamine
CID 117288927

Frequently Asked Questions

What is the IUPAC name of O-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine (CID 117276742) is O-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine is CC(F)c1ccc(CON)cc1.
What is the InChIKey of O-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine?
The InChIKey is IMNHHHPABHBBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-7(10)9-4-2-8(3-5-9)6-12-11/h2-5,7H,6,11H2,1H3.
What are the key properties of O-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine?
O-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine has a molecular weight of 169.20 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117276742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).