3-(2-amino-5-chloro-3-fluorophenyl)prop-2-en-1-ol

C9H9ClFNO — CID 169453365

IUPAC3-(2-amino-5-chloro-3-fluorophenyl)prop-2-en-1-ol
SMILESNc1c(F)cc(Cl)cc1C=CCO
InChIInChI=1S/C9H9ClFNO/c10-7-4-6(2-1-3-13)9(12)8(11)5-7/h1-2,4-5,13H,3,12H2
InChIKeyIIOIEKBKULPPHU-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.07
Rot. Bonds2

About 3-(2-amino-5-chloro-3-fluorophenyl)prop-2-en-1-ol

3-(2-amino-5-chloro-3-fluorophenyl)prop-2-en-1-ol (PubChem CID 169453365) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 3-(2-amino-5-chloro-3-fluorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(2-amino-5-chloro-3-fluorophenyl)prop-2-en-1-ol
PubChem CID169453365
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name3-(2-amino-5-chloro-3-fluorophenyl)prop-2-en-1-ol
SMILESNc1c(F)cc(Cl)cc1C=CCO
InChIInChI=1S/C9H9ClFNO/c10-7-4-6(2-1-3-13)9(12)8(11)5-7/h1-2,4-5,13H,3,12H2
InChIKeyIIOIEKBKULPPHU-UHFFFAOYSA-N
XLogP2.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-amino-5-chloro-3-fluorophenyl)prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chloro-2-fluoro-6-methylaniline
CID 20543813
4-Chloro-3-fluoro-2-(2-hydroxyethyl)aniline
CID 20083131
4-Chloro-2-ethyl-6-fluoroaniline
CID 20479205
(2-Amino-5-chloro-4-fluoro-3-methylphenyl)methanol
CID 89253232
(2-Amino-5-chloro-4-fluorophenyl)methanol
CID 118955387
4-Chloro-2-ethenyl-5-fluoroaniline
CID 143274789
(6-Amino-3-chloro-2-fluorophenyl)methanol
CID 156152284
4-(2-Amino-5-chloro-3-fluorophenyl)-2-methylhex-3-en-2-ol
CID 170742292
(2-Amino-5-chloro-3-fluorophenyl)methanol
CID 174410830
(E)-4-(2-amino-5-chloro-3-fluorophenyl)-2-methylpent-3-en-2-ol
CID 176206162
3-(2-Amino-5-chlorophenyl)prop-2-yn-1-ol
CID 169484787
4-Chloro-2-fluoro-6-prop-2-enylaniline
CID 53416399

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-chloro-3-fluorophenyl)prop-2-en-1-ol?
The IUPAC name of 3-(2-amino-5-chloro-3-fluorophenyl)prop-2-en-1-ol (CID 169453365) is 3-(2-amino-5-chloro-3-fluorophenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(2-amino-5-chloro-3-fluorophenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(2-amino-5-chloro-3-fluorophenyl)prop-2-en-1-ol is Nc1c(F)cc(Cl)cc1C=CCO.
What is the InChIKey of 3-(2-amino-5-chloro-3-fluorophenyl)prop-2-en-1-ol?
The InChIKey is IIOIEKBKULPPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c10-7-4-6(2-1-3-13)9(12)8(11)5-7/h1-2,4-5,13H,3,12H2.
What are the key properties of 3-(2-amino-5-chloro-3-fluorophenyl)prop-2-en-1-ol?
3-(2-amino-5-chloro-3-fluorophenyl)prop-2-en-1-ol has a molecular weight of 201.63 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-chloro-3-fluorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 169453365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).