4-(2-aminopropan-2-yl)-3-chloro-5-fluorophenol

C9H11ClFNO — CID 84777632

IUPAC4-(2-aminopropan-2-yl)-3-chloro-5-fluorophenol
SMILESCC(C)(N)c1c(F)cc(O)cc1Cl
InChIInChI=1S/C9H11ClFNO/c1-9(2,12)8-6(10)3-5(13)4-7(8)11/h3-4,13H,12H2,1-2H3
InChIKeyVRZWMVLRMBCJAJ-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.38
Rot. Bonds1

About 4-(2-aminopropan-2-yl)-3-chloro-5-fluorophenol

4-(2-aminopropan-2-yl)-3-chloro-5-fluorophenol (PubChem CID 84777632) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-3-chloro-5-fluorophenol.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-3-chloro-5-fluorophenol
PubChem CID84777632
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name4-(2-aminopropan-2-yl)-3-chloro-5-fluorophenol
SMILESCC(C)(N)c1c(F)cc(O)cc1Cl
InChIInChI=1S/C9H11ClFNO/c1-9(2,12)8-6(10)3-5(13)4-7(8)11/h3-4,13H,12H2,1-2H3
InChIKeyVRZWMVLRMBCJAJ-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

3,5-dichloro-4-[2-(2,6-dichloro-4-hydroxyphenyl)propan-2-yl]phenol
CID 22720131
2-(2-aminopropan-2-yl)-3-chloro-6-fluoro-4-methylphenol
CID 84785858
3-chloro-5-fluoro-4-methylsulfanylphenol
CID 84664407
4-tert-butyl-3-chloro-5-methylphenol
CID 166610575
3-(2-aminopropan-2-yl)-4-chloro-2-fluorophenol
CID 84777631
2-(2-aminopropan-2-yl)-3,6-difluorophenol
CID 117280747
(2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol
CID 130690627
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine
CID 117335610
3-chloro-5-fluoro-4-(methylaminomethyl)phenol
CID 84771305
4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol
CID 84776502
2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
CID 61056644
2-(3-chloro-6-fluoro-2-methoxyphenyl)propan-2-amine
CID 117310322

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-3-chloro-5-fluorophenol?
The IUPAC name of 4-(2-aminopropan-2-yl)-3-chloro-5-fluorophenol (CID 84777632) is 4-(2-aminopropan-2-yl)-3-chloro-5-fluorophenol.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-3-chloro-5-fluorophenol?
The canonical SMILES for 4-(2-aminopropan-2-yl)-3-chloro-5-fluorophenol is CC(C)(N)c1c(F)cc(O)cc1Cl.
What is the InChIKey of 4-(2-aminopropan-2-yl)-3-chloro-5-fluorophenol?
The InChIKey is VRZWMVLRMBCJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-9(2,12)8-6(10)3-5(13)4-7(8)11/h3-4,13H,12H2,1-2H3.
What are the key properties of 4-(2-aminopropan-2-yl)-3-chloro-5-fluorophenol?
4-(2-aminopropan-2-yl)-3-chloro-5-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 4-(2-aminopropan-2-yl)-3-chloro-5-fluorophenol is sourced from PubChem (CID 84777632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).