4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine

C9H9ClF3NO — CID 82954654

IUPAC4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine
SMILESFC(F)(F)CCOCc1cc(Cl)ccn1
InChIInChI=1S/C9H9ClF3NO/c10-7-1-3-14-8(5-7)6-15-4-2-9(11,12)13/h1,3,5H,2,4,6H2
InChIKeyYLWNAFMXNQFMHG-UHFFFAOYSA-N
MW239.62 g/mol
LogP3.20
Rot. Bonds4

About 4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine

4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine (PubChem CID 82954654) has the molecular formula C9H9ClF3NO and a molecular weight of 239.62 g/mol. Its IUPAC name is 4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine.

Molecular Properties

Compound Name4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine
PubChem CID82954654
Molecular FormulaC9H9ClF3NO
Molecular Weight239.62 g/mol
Exact Mass239.03
IUPAC Name4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine
SMILESFC(F)(F)CCOCc1cc(Cl)ccn1
InChIInChI=1S/C9H9ClF3NO/c10-7-1-3-14-8(5-7)6-15-4-2-9(11,12)13/h1,3,5H,2,4,6H2
InChIKeyYLWNAFMXNQFMHG-UHFFFAOYSA-N
XLogP3.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(2,2-difluoroethoxymethyl)pyridine
CID 82005069
5-chloro-2-(3,3,3-trifluoropropoxymethyl)aniline
CID 82955578
N-ethyl-2-(4,4,4-trifluorobutoxymethyl)pyridin-4-amine
CID 82791929
2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine
CID 82788913
(4-chloro-2-pyridinyl)methanamine
CID 22727148
4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine
CID 82716789
[4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanamine
CID 70982353
4-[(4-chloro-2-pyridinyl)methoxy]aniline
CID 79244468
(4-chloro-2-pyridinyl)methylazanide
CID 86625858
2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine
CID 79255856
1-[(4-chloro-2-pyridinyl)methyl-methylamino]-2-methylpropan-2-ol
CID 79381503
6-(3,3,3-trifluoropropoxymethyl)pyridine-3-carboxylate
CID 150682400

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine?
The IUPAC name of 4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine (CID 82954654) is 4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine.
What is the SMILES notation for 4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine?
The canonical SMILES for 4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine is FC(F)(F)CCOCc1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine?
The InChIKey is YLWNAFMXNQFMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO/c10-7-1-3-14-8(5-7)6-15-4-2-9(11,12)13/h1,3,5H,2,4,6H2.
What are the key properties of 4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine?
4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine has a molecular weight of 239.62 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine is sourced from PubChem (CID 82954654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).