4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol

C9H10ClF2NO — CID 84788308

IUPAC4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol
SMILESCC(CN)c1c(F)cc(O)c(Cl)c1F
InChIInChI=1S/C9H10ClF2NO/c1-4(3-13)7-5(11)2-6(14)8(10)9(7)12/h2,4,14H,3,13H2,1H3
InChIKeyDUORHZBOLXAHLW-UHFFFAOYSA-N
MW221.63 g/mol
LogP2.39
Rot. Bonds2

About 4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol

4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol (PubChem CID 84788308) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol
PubChem CID84788308
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC Name4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol
SMILESCC(CN)c1c(F)cc(O)c(Cl)c1F
InChIInChI=1S/C9H10ClF2NO/c1-4(3-13)7-5(11)2-6(14)8(10)9(7)12/h2,4,14H,3,13H2,1H3
InChIKeyDUORHZBOLXAHLW-UHFFFAOYSA-N
XLogP2.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.63
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol
CID 84789353
4-(1-aminoethyl)-2-chloro-3,5-difluorophenol
CID 84779943
2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol
CID 84777609
2-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine
CID 115113261
4-(3-aminopropyl)-2-chloro-3,5-difluorophenol
CID 84788306
2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol
CID 117310420
2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol
CID 117345751
4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol
CID 84803490
2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117339631
2-(3-bromo-2,6-difluorophenyl)propan-1-amine
CID 106943854
3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol
CID 117343843
2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol
CID 117309015

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol?
The IUPAC name of 4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol (CID 84788308) is 4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol?
The canonical SMILES for 4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol is CC(CN)c1c(F)cc(O)c(Cl)c1F.
What is the InChIKey of 4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol?
The InChIKey is DUORHZBOLXAHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO/c1-4(3-13)7-5(11)2-6(14)8(10)9(7)12/h2,4,14H,3,13H2,1H3.
What are the key properties of 4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol?
4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol has a molecular weight of 221.63 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol is sourced from PubChem (CID 84788308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).