O-(3-fluorophenyl)hydroxylamine;propane

C9H14FNO — CID 23134075

IUPACO-(3-fluorophenyl)hydroxylamine;propane
SMILESCCC.NOc1cccc(F)c1
InChIInChI=1S/C6H6FNO.C3H8/c7-5-2-1-3-6(4-5)9-8;1-3-2/h1-4H,8H2;3H2,1-2H3
InChIKeySWGMATIGLZKNFN-UHFFFAOYSA-N
MW171.22 g/mol
LogP2.49
Rot. Bonds1

About O-(3-fluorophenyl)hydroxylamine;propane

O-(3-fluorophenyl)hydroxylamine;propane (PubChem CID 23134075) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is O-(3-fluorophenyl)hydroxylamine;propane.

Molecular Properties

Compound NameO-(3-fluorophenyl)hydroxylamine;propane
PubChem CID23134075
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC NameO-(3-fluorophenyl)hydroxylamine;propane
SMILESCCC.NOc1cccc(F)c1
InChIInChI=1S/C6H6FNO.C3H8/c7-5-2-1-3-6(4-5)9-8;1-3-2/h1-4H,8H2;3H2,1-2H3
InChIKeySWGMATIGLZKNFN-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze O-(3-fluorophenyl)hydroxylamine;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluorophenoxy)-2-methylpropan-1-amine
CID 28917625
ethyl 2-fluoro-2-(3-fluorophenoxy)acetate
CID 79356645
1-fluoro-3-[(E)-2-methylbut-2-enoxy]benzene
CID 145145083
N-(3-fluorophenoxy)methanamine
CID 117126743
6-(3-fluorophenoxy)hexan-3-amine
CID 106800736
1-fluoro-3-pent-2-en-2-yloxybenzene
CID 91541622
(3-fluorophenyl) propaneperoxoate
CID 174455690
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
2-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 82075160
ethyl 2-(3-fluorophenoxy)-2-methylpropanoate
CID 58243746
1-(3-fluorophenoxy)propan-2-ylhydrazine
CID 82280988
1-fluoro-3-hex-3-enoxybenzene
CID 91033540

Frequently Asked Questions

What is the IUPAC name of O-(3-fluorophenyl)hydroxylamine;propane?
The IUPAC name of O-(3-fluorophenyl)hydroxylamine;propane (CID 23134075) is O-(3-fluorophenyl)hydroxylamine;propane.
What is the SMILES notation for O-(3-fluorophenyl)hydroxylamine;propane?
The canonical SMILES for O-(3-fluorophenyl)hydroxylamine;propane is CCC.NOc1cccc(F)c1.
What is the InChIKey of O-(3-fluorophenyl)hydroxylamine;propane?
The InChIKey is SWGMATIGLZKNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO.C3H8/c7-5-2-1-3-6(4-5)9-8;1-3-2/h1-4H,8H2;3H2,1-2H3.
What are the key properties of O-(3-fluorophenyl)hydroxylamine;propane?
O-(3-fluorophenyl)hydroxylamine;propane has a molecular weight of 171.22 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3-fluorophenyl)hydroxylamine;propane is sourced from PubChem (CID 23134075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).