3-(2-aminopropan-2-yl)-4-chloro-2-fluorophenol

C9H11ClFNO — CID 84777631

IUPAC3-(2-aminopropan-2-yl)-4-chloro-2-fluorophenol
SMILESCC(C)(N)c1c(Cl)ccc(O)c1F
InChIInChI=1S/C9H11ClFNO/c1-9(2,12)7-5(10)3-4-6(13)8(7)11/h3-4,13H,12H2,1-2H3
InChIKeyZISZQSUUBPZFIA-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.38
Rot. Bonds1

About 3-(2-aminopropan-2-yl)-4-chloro-2-fluorophenol

3-(2-aminopropan-2-yl)-4-chloro-2-fluorophenol (PubChem CID 84777631) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-4-chloro-2-fluorophenol.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-4-chloro-2-fluorophenol
PubChem CID84777631
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name3-(2-aminopropan-2-yl)-4-chloro-2-fluorophenol
SMILESCC(C)(N)c1c(Cl)ccc(O)c1F
InChIInChI=1S/C9H11ClFNO/c1-9(2,12)7-5(10)3-4-6(13)8(7)11/h3-4,13H,12H2,1-2H3
InChIKeyZISZQSUUBPZFIA-UHFFFAOYSA-N
XLogP2.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 117280993
4-(2-aminopropan-2-yl)-3-chloro-5-fluorophenol
CID 84777632
2-amino-4-chloro-3-(trifluoromethyl)phenol
CID 58148280
3-(3-aminopropyl)-4-chloro-2-fluorophenol
CID 84777605
2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine
CID 117310322
2-fluoro-3-(trifluoromethyl)benzene-1,4-diol
CID 143639383
2-(2-aminopropan-2-yl)-3,6-difluorophenol
CID 117280747
3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol
CID 84784370
2,4-dichloro-3-(2-methylbut-3-yn-2-yl)phenol
CID 173364579
3-chloro-2-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenol
CID 169257049
6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol
CID 84796633
3-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117311600

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-4-chloro-2-fluorophenol?
The IUPAC name of 3-(2-aminopropan-2-yl)-4-chloro-2-fluorophenol (CID 84777631) is 3-(2-aminopropan-2-yl)-4-chloro-2-fluorophenol.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-4-chloro-2-fluorophenol?
The canonical SMILES for 3-(2-aminopropan-2-yl)-4-chloro-2-fluorophenol is CC(C)(N)c1c(Cl)ccc(O)c1F.
What is the InChIKey of 3-(2-aminopropan-2-yl)-4-chloro-2-fluorophenol?
The InChIKey is ZISZQSUUBPZFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-9(2,12)7-5(10)3-4-6(13)8(7)11/h3-4,13H,12H2,1-2H3.
What are the key properties of 3-(2-aminopropan-2-yl)-4-chloro-2-fluorophenol?
3-(2-aminopropan-2-yl)-4-chloro-2-fluorophenol has a molecular weight of 203.64 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)-4-chloro-2-fluorophenol is sourced from PubChem (CID 84777631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).