2-chloro-5-fluoro-4-(propylaminomethyl)phenol

C10H13ClFNO — CID 142098941

IUPAC2-chloro-5-fluoro-4-(propylaminomethyl)phenol
SMILESCCCNCc1cc(Cl)c(O)cc1F
InChIInChI=1S/C10H13ClFNO/c1-2-3-13-6-7-4-8(11)10(14)5-9(7)12/h4-5,13-14H,2-3,6H2,1H3
InChIKeyPAOIYHUGHATWIG-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.68
Rot. Bonds4

About 2-chloro-5-fluoro-4-(propylaminomethyl)phenol

2-chloro-5-fluoro-4-(propylaminomethyl)phenol (PubChem CID 142098941) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(propylaminomethyl)phenol.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(propylaminomethyl)phenol
PubChem CID142098941
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name2-chloro-5-fluoro-4-(propylaminomethyl)phenol
SMILESCCCNCc1cc(Cl)c(O)cc1F
InChIInChI=1S/C10H13ClFNO/c1-2-3-13-6-7-4-8(11)10(14)5-9(7)12/h4-5,13-14H,2-3,6H2,1H3
InChIKeyPAOIYHUGHATWIG-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(propylaminomethyl)phenol?
The IUPAC name of 2-chloro-5-fluoro-4-(propylaminomethyl)phenol (CID 142098941) is 2-chloro-5-fluoro-4-(propylaminomethyl)phenol.
What is the SMILES notation for 2-chloro-5-fluoro-4-(propylaminomethyl)phenol?
The canonical SMILES for 2-chloro-5-fluoro-4-(propylaminomethyl)phenol is CCCNCc1cc(Cl)c(O)cc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-(propylaminomethyl)phenol?
The InChIKey is PAOIYHUGHATWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-2-3-13-6-7-4-8(11)10(14)5-9(7)12/h4-5,13-14H,2-3,6H2,1H3.
What are the key properties of 2-chloro-5-fluoro-4-(propylaminomethyl)phenol?
2-chloro-5-fluoro-4-(propylaminomethyl)phenol has a molecular weight of 217.67 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(propylaminomethyl)phenol is sourced from PubChem (CID 142098941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).