4-(2-aminopropyl)-6-chloro-2,3-difluorophenol

C9H10ClF2NO — CID 117317248

IUPAC4-(2-aminopropyl)-6-chloro-2,3-difluorophenol
SMILESCC(N)Cc1cc(Cl)c(O)c(F)c1F
InChIInChI=1S/C9H10ClF2NO/c1-4(13)2-5-3-6(10)9(14)8(12)7(5)11/h3-4,14H,2,13H2,1H3
InChIKeyDKLBQHHGVMHAIP-UHFFFAOYSA-N
MW221.63 g/mol
LogP2.21
Rot. Bonds2

About 4-(2-aminopropyl)-6-chloro-2,3-difluorophenol

4-(2-aminopropyl)-6-chloro-2,3-difluorophenol (PubChem CID 117317248) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is 4-(2-aminopropyl)-6-chloro-2,3-difluorophenol.

Molecular Properties

Compound Name4-(2-aminopropyl)-6-chloro-2,3-difluorophenol
PubChem CID117317248
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC Name4-(2-aminopropyl)-6-chloro-2,3-difluorophenol
SMILESCC(N)Cc1cc(Cl)c(O)c(F)c1F
InChIInChI=1S/C9H10ClF2NO/c1-4(13)2-5-3-6(10)9(14)8(12)7(5)11/h3-4,14H,2,13H2,1H3
InChIKeyDKLBQHHGVMHAIP-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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

6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol
CID 117318846
2-(2-aminopropyl)-4-chloro-5-fluorophenol
CID 117292217
1-(5-chloro-2,4-difluorophenyl)propan-2-amine
CID 117294361
1-(5-chloro-2-fluoro-4-methylphenyl)propan-2-amine
CID 117290515
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372462
1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride
CID 3041172
2-(2-aminopropyl)-5-chlorophenol
CID 83697150
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol
CID 117298062
1-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine
CID 117310356
1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride
CID 170894016
2-(2-aminopropyl)-5-fluorophenol
CID 83695312

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-6-chloro-2,3-difluorophenol?
The IUPAC name of 4-(2-aminopropyl)-6-chloro-2,3-difluorophenol (CID 117317248) is 4-(2-aminopropyl)-6-chloro-2,3-difluorophenol.
What is the SMILES notation for 4-(2-aminopropyl)-6-chloro-2,3-difluorophenol?
The canonical SMILES for 4-(2-aminopropyl)-6-chloro-2,3-difluorophenol is CC(N)Cc1cc(Cl)c(O)c(F)c1F.
What is the InChIKey of 4-(2-aminopropyl)-6-chloro-2,3-difluorophenol?
The InChIKey is DKLBQHHGVMHAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO/c1-4(13)2-5-3-6(10)9(14)8(12)7(5)11/h3-4,14H,2,13H2,1H3.
What are the key properties of 4-(2-aminopropyl)-6-chloro-2,3-difluorophenol?
4-(2-aminopropyl)-6-chloro-2,3-difluorophenol has a molecular weight of 221.63 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-6-chloro-2,3-difluorophenol is sourced from PubChem (CID 117317248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).