4-(1-fluoroethyl)-2-[(hydroxyamino)methyl]phenol

C9H12FNO2 — CID 117280151

IUPAC4-(1-fluoroethyl)-2-[(hydroxyamino)methyl]phenol
SMILESCC(F)c1ccc(O)c(CNO)c1
InChIInChI=1S/C9H12FNO2/c1-6(10)7-2-3-9(12)8(4-7)5-11-13/h2-4,6,11-13H,5H2,1H3
InChIKeyPYADQGYTNDRYCD-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.90
Rot. Bonds3

About 4-(1-fluoroethyl)-2-[(hydroxyamino)methyl]phenol

4-(1-fluoroethyl)-2-[(hydroxyamino)methyl]phenol (PubChem CID 117280151) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-2-[(hydroxyamino)methyl]phenol.

Molecular Properties

Compound Name4-(1-fluoroethyl)-2-[(hydroxyamino)methyl]phenol
PubChem CID117280151
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name4-(1-fluoroethyl)-2-[(hydroxyamino)methyl]phenol
SMILESCC(F)c1ccc(O)c(CNO)c1
InChIInChI=1S/C9H12FNO2/c1-6(10)7-2-3-9(12)8(4-7)5-11-13/h2-4,6,11-13H,5H2,1H3
InChIKeyPYADQGYTNDRYCD-UHFFFAOYSA-N
XLogP1.90
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(1-fluoroethyl)-2-[(methoxyamino)methyl]phenol
CID 117288621
4-tert-butyl-2-[(hydroxyamino)methyl]phenol
CID 117285539
2-(2-amino-1-hydroxyethyl)-4-(1-fluoroethyl)phenol
CID 84668851
4-methoxy-2-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81368054
1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine
CID 84670375
4-bromo-2-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 51981416
2-[[1-(4-bromophenyl)ethylamino]methyl]-4-fluorophenol
CID 103947939
2-[4-(1-fluoroethyl)-2-hydroxyanilino]acetic acid
CID 115028181
4-[(1R)-1-fluoroethyl]phenol
CID 124547590
2-[5-(1-fluoroethyl)-2-hydroxyphenyl]-2-methylpropanoic acid
CID 84690452
4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol
CID 103947979
4-(1-aminoethyl)-2-(difluoromethyl)phenol
CID 84660904

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)-2-[(hydroxyamino)methyl]phenol?
The IUPAC name of 4-(1-fluoroethyl)-2-[(hydroxyamino)methyl]phenol (CID 117280151) is 4-(1-fluoroethyl)-2-[(hydroxyamino)methyl]phenol.
What is the SMILES notation for 4-(1-fluoroethyl)-2-[(hydroxyamino)methyl]phenol?
The canonical SMILES for 4-(1-fluoroethyl)-2-[(hydroxyamino)methyl]phenol is CC(F)c1ccc(O)c(CNO)c1.
What is the InChIKey of 4-(1-fluoroethyl)-2-[(hydroxyamino)methyl]phenol?
The InChIKey is PYADQGYTNDRYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-6(10)7-2-3-9(12)8(4-7)5-11-13/h2-4,6,11-13H,5H2,1H3.
What are the key properties of 4-(1-fluoroethyl)-2-[(hydroxyamino)methyl]phenol?
4-(1-fluoroethyl)-2-[(hydroxyamino)methyl]phenol has a molecular weight of 185.20 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)-2-[(hydroxyamino)methyl]phenol is sourced from PubChem (CID 117280151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).