ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole

C13H26F2N4 — CID 143819268

IUPACethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole
SMILESCC.CCN1CCCC(F)(F)C1.CCn1nccn1
InChIInChI=1S/C7H13F2N.C4H7N3.C2H6/c1-2-10-5-3-4-7(8,9)6-10;1-2-7-5-3-4-6-7;1-2/h2-6H2,1H3;3-4H,2H2,1H3;1-2H3
InChIKeyTXJHMIFJDKBQKO-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.06
Rot. Bonds2

About ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole

ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole (PubChem CID 143819268) has the molecular formula C13H26F2N4 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole.

Molecular Properties

Compound Nameethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole
PubChem CID143819268
Molecular FormulaC13H26F2N4
Molecular Weight276.38 g/mol
Exact Mass276.21
IUPAC Nameethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole
SMILESCC.CCN1CCCC(F)(F)C1.CCn1nccn1
InChIInChI=1S/C7H13F2N.C4H7N3.C2H6/c1-2-10-5-3-4-7(8,9)6-10;1-2-7-5-3-4-6-7;1-2/h2-6H2,1H3;3-4H,2H2,1H3;1-2H3
InChIKeyTXJHMIFJDKBQKO-UHFFFAOYSA-N
XLogP3.06
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5,5-difluoroazocane
CID 162614940
2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylpyrimidine
CID 168939087
3,3-difluoro-1-(3-methylbutyl)piperidine
CID 59748001
1-ethyl-3,3-difluoropiperidine;5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551738
1-ethyl-3-methyl-3-propan-2-ylsulfanylpiperidine
CID 126603719
1-ethyl-3-methyl-3-methylsulfanylpiperidine
CID 167009403
potassium (3,3-difluoropiperidin-1-yl)methyl-trifluoroboranuide
CID 164647179
1-(2-butoxyethyl)-3,3-difluoropiperidine
CID 154627823
1-ethyl-3,3-difluoropiperidine;5-imidazo[1,2-b]pyridazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171552277
1-ethyl-3-(trifluoromethyl)piperidin-3-ol
CID 89019254
3-(3,3-difluoropiperidin-1-yl)propanal
CID 164657437
1-[(4-bromo-2,6-dimethylphenyl)methyl]-3,3-difluoropiperidine
CID 172876555

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole?
The IUPAC name of ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole (CID 143819268) is ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole.
What is the SMILES notation for ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole?
The canonical SMILES for ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole is CC.CCN1CCCC(F)(F)C1.CCn1nccn1.
What is the InChIKey of ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole?
The InChIKey is TXJHMIFJDKBQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.C4H7N3.C2H6/c1-2-10-5-3-4-7(8,9)6-10;1-2-7-5-3-4-6-7;1-2/h2-6H2,1H3;3-4H,2H2,1H3;1-2H3.
What are the key properties of ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole?
ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole has a molecular weight of 276.38 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole is sourced from PubChem (CID 143819268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).