2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol

C9H11ClFNO — CID 84777609

IUPAC2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol
SMILESCC(CN)c1cc(Cl)c(F)cc1O
InChIInChI=1S/C9H11ClFNO/c1-5(4-12)6-2-7(10)8(11)3-9(6)13/h2-3,5,13H,4,12H2,1H3
InChIKeyCOXDMOYVHKMJEF-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.25
Rot. Bonds2

About 2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol

2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol (PubChem CID 84777609) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol
PubChem CID84777609
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol
SMILESCC(CN)c1cc(Cl)c(F)cc1O
InChIInChI=1S/C9H11ClFNO/c1-5(4-12)6-2-7(10)8(11)3-9(6)13/h2-3,5,13H,4,12H2,1H3
InChIKeyCOXDMOYVHKMJEF-UHFFFAOYSA-N
XLogP2.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol
CID 77129858
4-chloro-2-(difluoromethyl)-5-fluorophenol
CID 84667188
4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol
CID 84803490
4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol
CID 84788308
2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol
CID 130699208
2-(2-aminopropyl)-4-chloro-5-fluorophenol
CID 117292217
2-(4-aminobutan-2-yl)-5-bromo-4-chlorophenol
CID 84811450
2-(5-chloro-4-fluoro-2-hydroxyphenyl)butanenitrile
CID 130134520
2-(1-aminopropan-2-yl)benzene-1,4-diol
CID 3028773
2-(2-chloro-4-fluorophenyl)propan-1-amine
CID 66438470
4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol
CID 117293006
2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol
CID 117310420

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol?
The IUPAC name of 2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol (CID 84777609) is 2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol?
The canonical SMILES for 2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol is CC(CN)c1cc(Cl)c(F)cc1O.
What is the InChIKey of 2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol?
The InChIKey is COXDMOYVHKMJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-5(4-12)6-2-7(10)8(11)3-9(6)13/h2-3,5,13H,4,12H2,1H3.
What are the key properties of 2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol?
2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol has a molecular weight of 203.64 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol is sourced from PubChem (CID 84777609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).