2-(1-amino-2-fluoroethyl)phenol

C8H10FNO — CID 83815442

IUPAC2-(1-amino-2-fluoroethyl)phenol
SMILESNC(CF)c1ccccc1O
InChIInChI=1S/C8H10FNO/c9-5-7(10)6-3-1-2-4-8(6)11/h1-4,7,11H,5,10H2
InChIKeyQSGAECCCTPMXJM-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.36
Rot. Bonds2

About 2-(1-amino-2-fluoroethyl)phenol

2-(1-amino-2-fluoroethyl)phenol (PubChem CID 83815442) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 2-(1-amino-2-fluoroethyl)phenol.

Molecular Properties

Compound Name2-(1-amino-2-fluoroethyl)phenol
PubChem CID83815442
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name2-(1-amino-2-fluoroethyl)phenol
SMILESNC(CF)c1ccccc1O
InChIInChI=1S/C8H10FNO/c9-5-7(10)6-3-1-2-4-8(6)11/h1-4,7,11H,5,10H2
InChIKeyQSGAECCCTPMXJM-UHFFFAOYSA-N
XLogP1.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(1R)-1-amino-2-fluoroethyl]benzene-1,2-diol
CID 131172415
2-[(1S)-1,3-diaminopropyl]phenol
CID 130872287
4-(1-amino-2-fluoroethyl)benzene-1,3-diol
CID 130061010
2-(1-amino-3-hydroxypropyl)phenol;hydrochloride
CID 170874374
2-[(1R)-1-amino-4-methylpentyl]phenol;hydrochloride
CID 171200975
2-(1-fluoropropan-2-yl)phenol
CID 19048051
2-(1,6-diaminohexyl)phenol
CID 19366084
2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171220494
4-amino-4-(2-hydroxyphenyl)butanamide;hydrochloride
CID 66653312
2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol
CID 66510923
2-[(1R)-1-aminoprop-2-enyl]phenol
CID 55278919
2-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol
CID 55277980

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-fluoroethyl)phenol?
The IUPAC name of 2-(1-amino-2-fluoroethyl)phenol (CID 83815442) is 2-(1-amino-2-fluoroethyl)phenol.
What is the SMILES notation for 2-(1-amino-2-fluoroethyl)phenol?
The canonical SMILES for 2-(1-amino-2-fluoroethyl)phenol is NC(CF)c1ccccc1O.
What is the InChIKey of 2-(1-amino-2-fluoroethyl)phenol?
The InChIKey is QSGAECCCTPMXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c9-5-7(10)6-3-1-2-4-8(6)11/h1-4,7,11H,5,10H2.
What are the key properties of 2-(1-amino-2-fluoroethyl)phenol?
2-(1-amino-2-fluoroethyl)phenol has a molecular weight of 155.17 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-fluoroethyl)phenol is sourced from PubChem (CID 83815442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).