azane;5-cyclopropyl-2-(1,1-difluoropropyl)pyridine;ethane

C13H22F2N2 — CID 145255290

IUPACazane;5-cyclopropyl-2-(1,1-difluoropropyl)pyridine;ethane
SMILESCC.CCC(F)(F)c1ccc(C2CC2)cn1.N
InChIInChI=1S/C11H13F2N.C2H6.H3N/c1-2-11(12,13)10-6-5-9(7-14-10)8-3-4-8;1-2;/h5-8H,2-4H2,1H3;1-2H3;1H3
InChIKeyGFNDUJLJXPBOOG-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.65
Rot. Bonds3

About azane;5-cyclopropyl-2-(1,1-difluoropropyl)pyridine;ethane

azane;5-cyclopropyl-2-(1,1-difluoropropyl)pyridine;ethane (PubChem CID 145255290) has the molecular formula C13H22F2N2 and a molecular weight of 244.33 g/mol. Its IUPAC name is azane;5-cyclopropyl-2-(1,1-difluoropropyl)pyridine;ethane.

Molecular Properties

Compound Nameazane;5-cyclopropyl-2-(1,1-difluoropropyl)pyridine;ethane
PubChem CID145255290
Molecular FormulaC13H22F2N2
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameazane;5-cyclopropyl-2-(1,1-difluoropropyl)pyridine;ethane
SMILESCC.CCC(F)(F)c1ccc(C2CC2)cn1.N
InChIInChI=1S/C11H13F2N.C2H6.H3N/c1-2-11(12,13)10-6-5-9(7-14-10)8-3-4-8;1-2;/h5-8H,2-4H2,1H3;1-2H3;1H3
InChIKeyGFNDUJLJXPBOOG-UHFFFAOYSA-N
XLogP4.65
TPSA47.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-butylcyclohexyl)-2-(trifluoromethyl)pyridine
CID 19765742
5-cyclobutyl-2-(trifluoromethyl)pyridine
CID 167467785
5-cyclohexyl-2-(trifluoromethyl)pyridine
CID 138976575
5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine
CID 67786067
5-cyclopropyl-2-ethylpyridine;ethane
CID 142548928
5-[4-(4-hexylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyridine
CID 67786062
2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine
CID 122472514
5-(4-tert-butylcyclohexyl)-2-ethylpyridine
CID 70849885
2-(1,1-difluoropropyl)pyridine
CID 59088790
N-[(5-cyclopropyl-2-pyridinyl)methyl]ethanamine
CID 163383215
2,2,2-trifluoroacetic acid;4-[6-(trifluoromethyl)-3-pyridinyl]cyclohexane-1-carbaldehyde
CID 175204625
5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine
CID 19765513

Frequently Asked Questions

What is the IUPAC name of azane;5-cyclopropyl-2-(1,1-difluoropropyl)pyridine;ethane?
The IUPAC name of azane;5-cyclopropyl-2-(1,1-difluoropropyl)pyridine;ethane (CID 145255290) is azane;5-cyclopropyl-2-(1,1-difluoropropyl)pyridine;ethane.
What is the SMILES notation for azane;5-cyclopropyl-2-(1,1-difluoropropyl)pyridine;ethane?
The canonical SMILES for azane;5-cyclopropyl-2-(1,1-difluoropropyl)pyridine;ethane is CC.CCC(F)(F)c1ccc(C2CC2)cn1.N.
What is the InChIKey of azane;5-cyclopropyl-2-(1,1-difluoropropyl)pyridine;ethane?
The InChIKey is GFNDUJLJXPBOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N.C2H6.H3N/c1-2-11(12,13)10-6-5-9(7-14-10)8-3-4-8;1-2;/h5-8H,2-4H2,1H3;1-2H3;1H3.
What are the key properties of azane;5-cyclopropyl-2-(1,1-difluoropropyl)pyridine;ethane?
azane;5-cyclopropyl-2-(1,1-difluoropropyl)pyridine;ethane has a molecular weight of 244.33 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-cyclopropyl-2-(1,1-difluoropropyl)pyridine;ethane is sourced from PubChem (CID 145255290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).