2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine

C10H11ClF3NO — CID 82788913

IUPAC2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine
SMILESFC(F)(F)CCCOCc1ccnc(Cl)c1
InChIInChI=1S/C10H11ClF3NO/c11-9-6-8(2-4-15-9)7-16-5-1-3-10(12,13)14/h2,4,6H,1,3,5,7H2
InChIKeyVWCOKXSJEKEVBI-UHFFFAOYSA-N
MW253.65 g/mol
LogP3.59
Rot. Bonds5

About 2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine

2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine (PubChem CID 82788913) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine
PubChem CID82788913
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine
SMILESFC(F)(F)CCCOCc1ccnc(Cl)c1
InChIInChI=1S/C10H11ClF3NO/c11-9-6-8(2-4-15-9)7-16-5-1-3-10(12,13)14/h2,4,6H,1,3,5,7H2
InChIKeyVWCOKXSJEKEVBI-UHFFFAOYSA-N
XLogP3.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine?
The IUPAC name of 2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine (CID 82788913) is 2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine.
What is the SMILES notation for 2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine?
The canonical SMILES for 2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine is FC(F)(F)CCCOCc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine?
The InChIKey is VWCOKXSJEKEVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c11-9-6-8(2-4-15-9)7-16-5-1-3-10(12,13)14/h2,4,6H,1,3,5,7H2.
What are the key properties of 2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine?
2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine has a molecular weight of 253.65 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine is sourced from PubChem (CID 82788913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).