2-(3-aminopropyl)-3-chloro-4-fluorophenol

C9H11ClFNO — CID 83881714

IUPAC2-(3-aminopropyl)-3-chloro-4-fluorophenol
SMILESNCCCc1c(O)ccc(F)c1Cl
InChIInChI=1S/C9H11ClFNO/c10-9-6(2-1-5-12)8(13)4-3-7(9)11/h3-4,13H,1-2,5,12H2
InChIKeyMMDHSQRZWLXYGV-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.08
Rot. Bonds3

About 2-(3-aminopropyl)-3-chloro-4-fluorophenol

2-(3-aminopropyl)-3-chloro-4-fluorophenol (PubChem CID 83881714) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 2-(3-aminopropyl)-3-chloro-4-fluorophenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-3-chloro-4-fluorophenol
PubChem CID83881714
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name2-(3-aminopropyl)-3-chloro-4-fluorophenol
SMILESNCCCc1c(O)ccc(F)c1Cl
InChIInChI=1S/C9H11ClFNO/c10-9-6(2-1-5-12)8(13)4-3-7(9)11/h3-4,13H,1-2,5,12H2
InChIKeyMMDHSQRZWLXYGV-UHFFFAOYSA-N
XLogP2.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-3-chloro-4-fluorophenol?
The IUPAC name of 2-(3-aminopropyl)-3-chloro-4-fluorophenol (CID 83881714) is 2-(3-aminopropyl)-3-chloro-4-fluorophenol.
What is the SMILES notation for 2-(3-aminopropyl)-3-chloro-4-fluorophenol?
The canonical SMILES for 2-(3-aminopropyl)-3-chloro-4-fluorophenol is NCCCc1c(O)ccc(F)c1Cl.
What is the InChIKey of 2-(3-aminopropyl)-3-chloro-4-fluorophenol?
The InChIKey is MMDHSQRZWLXYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c10-9-6(2-1-5-12)8(13)4-3-7(9)11/h3-4,13H,1-2,5,12H2.
What are the key properties of 2-(3-aminopropyl)-3-chloro-4-fluorophenol?
2-(3-aminopropyl)-3-chloro-4-fluorophenol has a molecular weight of 203.64 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-3-chloro-4-fluorophenol is sourced from PubChem (CID 83881714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).