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

C10H14FNO2 — CID 117288621

IUPAC4-(1-fluoroethyl)-2-[(methoxyamino)methyl]phenol
SMILESCONCc1cc(C(C)F)ccc1O
InChIInChI=1S/C10H14FNO2/c1-7(11)8-3-4-10(13)9(5-8)6-12-14-2/h3-5,7,12-13H,6H2,1-2H3
InChIKeyWMZVSEYDNWZPKY-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.07
Rot. Bonds4

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

4-(1-fluoroethyl)-2-[(methoxyamino)methyl]phenol (PubChem CID 117288621) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-2-[(methoxyamino)methyl]phenol.

Molecular Properties

Compound Name4-(1-fluoroethyl)-2-[(methoxyamino)methyl]phenol
PubChem CID117288621
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name4-(1-fluoroethyl)-2-[(methoxyamino)methyl]phenol
SMILESCONCc1cc(C(C)F)ccc1O
InChIInChI=1S/C10H14FNO2/c1-7(11)8-3-4-10(13)9(5-8)6-12-14-2/h3-5,7,12-13H,6H2,1-2H3
InChIKeyWMZVSEYDNWZPKY-UHFFFAOYSA-N
XLogP2.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.07
H-Bond Donors ≤ 52
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-[(hydroxyamino)methyl]phenol
CID 117280151
2-[(methoxyamino)methyl]-4-(2-methylbutan-2-yl)phenol
CID 117320534
5-[(methoxyamino)methyl]benzene-1,2,4-triol;hydrochloride
CID 91937662
4-[2-(dimethylamino)ethyl]-2-[(methoxyamino)methyl]phenol
CID 117322399
4-methoxy-2-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81368054
1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine
CID 82706582
1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
CID 117359818
2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol
CID 63324555
2-(2-amino-1-hydroxyethyl)-4-(1-fluoroethyl)phenol
CID 84668851
2-[(methoxyamino)methyl]-5-methylsulfanylphenol
CID 117288786
2-chloro-4-[(methoxyamino)methyl]-5-(trifluoromethyl)phenol
CID 117391955
3-fluoro-6-[(methoxyamino)methyl]benzene-1,2-diol
CID 117280653

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)-2-[(methoxyamino)methyl]phenol?
The IUPAC name of 4-(1-fluoroethyl)-2-[(methoxyamino)methyl]phenol (CID 117288621) is 4-(1-fluoroethyl)-2-[(methoxyamino)methyl]phenol.
What is the SMILES notation for 4-(1-fluoroethyl)-2-[(methoxyamino)methyl]phenol?
The canonical SMILES for 4-(1-fluoroethyl)-2-[(methoxyamino)methyl]phenol is CONCc1cc(C(C)F)ccc1O.
What is the InChIKey of 4-(1-fluoroethyl)-2-[(methoxyamino)methyl]phenol?
The InChIKey is WMZVSEYDNWZPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-7(11)8-3-4-10(13)9(5-8)6-12-14-2/h3-5,7,12-13H,6H2,1-2H3.
What are the key properties of 4-(1-fluoroethyl)-2-[(methoxyamino)methyl]phenol?
4-(1-fluoroethyl)-2-[(methoxyamino)methyl]phenol has a molecular weight of 199.22 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)-2-[(methoxyamino)methyl]phenol is sourced from PubChem (CID 117288621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).