ethane;4-(fluoromethyl)pyridine

C8H12FN — CID 143599831

IUPACethane;4-(fluoromethyl)pyridine
SMILESCC.FCc1ccncc1
InChIInChI=1S/C6H6FN.C2H6/c7-5-6-1-3-8-4-2-6;1-2/h1-4H,5H2;1-2H3
InChIKeyUFYRBVQRLUOZIG-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.58
Rot. Bonds1

About ethane;4-(fluoromethyl)pyridine

ethane;4-(fluoromethyl)pyridine (PubChem CID 143599831) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is ethane;4-(fluoromethyl)pyridine.

Molecular Properties

Compound Nameethane;4-(fluoromethyl)pyridine
PubChem CID143599831
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Nameethane;4-(fluoromethyl)pyridine
SMILESCC.FCc1ccncc1
InChIInChI=1S/C6H6FN.C2H6/c7-5-6-1-3-8-4-2-6;1-2/h1-4H,5H2;1-2H3
InChIKeyUFYRBVQRLUOZIG-UHFFFAOYSA-N
XLogP2.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-ethylpyridine
CID 142005045
ethane;4-ethylpyridine;methanol
CID 143096814
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
ethane;4-pyridin-4-ylpyridine
CID 142013036
ethane;4-(2-methylsulfanylethyl)pyridine
CID 166136938
4-(2,2-dimethylpropyl)pyridine
CID 22960904
ethanol;4-ethylpyridine
CID 174816615
pyridin-4-ylmethylazanium
CID 3822501
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
CID 167540277
CID 167540277

Frequently Asked Questions

What is the IUPAC name of ethane;4-(fluoromethyl)pyridine?
The IUPAC name of ethane;4-(fluoromethyl)pyridine (CID 143599831) is ethane;4-(fluoromethyl)pyridine.
What is the SMILES notation for ethane;4-(fluoromethyl)pyridine?
The canonical SMILES for ethane;4-(fluoromethyl)pyridine is CC.FCc1ccncc1.
What is the InChIKey of ethane;4-(fluoromethyl)pyridine?
The InChIKey is UFYRBVQRLUOZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN.C2H6/c7-5-6-1-3-8-4-2-6;1-2/h1-4H,5H2;1-2H3.
What are the key properties of ethane;4-(fluoromethyl)pyridine?
ethane;4-(fluoromethyl)pyridine has a molecular weight of 141.19 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(fluoromethyl)pyridine is sourced from PubChem (CID 143599831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).