2-methylidene-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridine

C9H8F5NO — CID 165394094

IUPAC2-methylidene-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridine
SMILESC=C1C=C(OCC(F)(F)C(F)(F)F)C=CN1
InChIInChI=1S/C9H8F5NO/c1-6-4-7(2-3-15-6)16-5-8(10,11)9(12,13)14/h2-4,15H,1,5H2
InChIKeyNOJJRGFYELJNPN-UHFFFAOYSA-N
MW241.16 g/mol
LogP2.72
Rot. Bonds3

About 2-methylidene-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridine

2-methylidene-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridine (PubChem CID 165394094) has the molecular formula C9H8F5NO and a molecular weight of 241.16 g/mol. Its IUPAC name is 2-methylidene-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridine.

Molecular Properties

Compound Name2-methylidene-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridine
PubChem CID165394094
Molecular FormulaC9H8F5NO
Molecular Weight241.16 g/mol
Exact Mass241.05
IUPAC Name2-methylidene-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridine
SMILESC=C1C=C(OCC(F)(F)C(F)(F)F)C=CN1
InChIInChI=1S/C9H8F5NO/c1-6-4-7(2-3-15-6)16-5-8(10,11)9(12,13)14/h2-4,15H,1,5H2
InChIKeyNOJJRGFYELJNPN-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-6-(trifluoromethyl)-2H-pyran-4-amine;hydrochloride
CID 171487744
(Pyridylidene)pyran
CID 129797087
4-(2,2,2-trifluoroethoxy)-1H-azepine
CID 152271778
2-Methanidyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-1-ium
CID 162557057
2-Methyl-4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine
CID 162557058
N-methyl-6-(trifluoromethyl)-2H-pyran-4-amine
CID 171487745
2,3-bis[(Z)-prop-1-enyl]-4H-1,4-oxazine
CID 129306342

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridine?
The IUPAC name of 2-methylidene-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridine (CID 165394094) is 2-methylidene-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridine.
What is the SMILES notation for 2-methylidene-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridine?
The canonical SMILES for 2-methylidene-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridine is C=C1C=C(OCC(F)(F)C(F)(F)F)C=CN1.
What is the InChIKey of 2-methylidene-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridine?
The InChIKey is NOJJRGFYELJNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO/c1-6-4-7(2-3-15-6)16-5-8(10,11)9(12,13)14/h2-4,15H,1,5H2.
What are the key properties of 2-methylidene-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridine?
2-methylidene-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridine has a molecular weight of 241.16 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridine is sourced from PubChem (CID 165394094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).