1-[(Z)-6-fluoro-5-methylnon-6-en-2-yl]-4-propan-2-yltriazole

C15H26FN3 — CID 146561791

IUPAC1-[(Z)-6-fluoro-5-methylnon-6-en-2-yl]-4-propan-2-yltriazole
SMILESCC/C=C(\F)C(C)CCC(C)n1cc(C(C)C)nn1
InChIInChI=1S/C15H26FN3/c1-6-7-14(16)12(4)8-9-13(5)19-10-15(11(2)3)17-18-19/h7,10-13H,6,8-9H2,1-5H3/b14-7-
InChIKeyDEWHCJIKJISTDW-AUWJEWJLSA-N
MW267.39 g/mol
LogP4.64
Rot. Bonds7

About 1-[(Z)-6-fluoro-5-methylnon-6-en-2-yl]-4-propan-2-yltriazole

1-[(Z)-6-fluoro-5-methylnon-6-en-2-yl]-4-propan-2-yltriazole (PubChem CID 146561791) has the molecular formula C15H26FN3 and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-[(Z)-6-fluoro-5-methylnon-6-en-2-yl]-4-propan-2-yltriazole.

Molecular Properties

Compound Name1-[(Z)-6-fluoro-5-methylnon-6-en-2-yl]-4-propan-2-yltriazole
PubChem CID146561791
Molecular FormulaC15H26FN3
Molecular Weight267.39 g/mol
Exact Mass267.21
IUPAC Name1-[(Z)-6-fluoro-5-methylnon-6-en-2-yl]-4-propan-2-yltriazole
SMILESCC/C=C(\F)C(C)CCC(C)n1cc(C(C)C)nn1
InChIInChI=1S/C15H26FN3/c1-6-7-14(16)12(4)8-9-13(5)19-10-15(11(2)3)17-18-19/h7,10-13H,6,8-9H2,1-5H3/b14-7-
InChIKeyDEWHCJIKJISTDW-AUWJEWJLSA-N
XLogP4.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-6-fluoro-5-methylnon-6-en-2-yl]-4-propan-2-yltriazole?
The IUPAC name of 1-[(Z)-6-fluoro-5-methylnon-6-en-2-yl]-4-propan-2-yltriazole (CID 146561791) is 1-[(Z)-6-fluoro-5-methylnon-6-en-2-yl]-4-propan-2-yltriazole.
What is the SMILES notation for 1-[(Z)-6-fluoro-5-methylnon-6-en-2-yl]-4-propan-2-yltriazole?
The canonical SMILES for 1-[(Z)-6-fluoro-5-methylnon-6-en-2-yl]-4-propan-2-yltriazole is CC/C=C(\F)C(C)CCC(C)n1cc(C(C)C)nn1.
What is the InChIKey of 1-[(Z)-6-fluoro-5-methylnon-6-en-2-yl]-4-propan-2-yltriazole?
The InChIKey is DEWHCJIKJISTDW-AUWJEWJLSA-N. The full InChI is InChI=1S/C15H26FN3/c1-6-7-14(16)12(4)8-9-13(5)19-10-15(11(2)3)17-18-19/h7,10-13H,6,8-9H2,1-5H3/b14-7-.
What are the key properties of 1-[(Z)-6-fluoro-5-methylnon-6-en-2-yl]-4-propan-2-yltriazole?
1-[(Z)-6-fluoro-5-methylnon-6-en-2-yl]-4-propan-2-yltriazole has a molecular weight of 267.39 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-6-fluoro-5-methylnon-6-en-2-yl]-4-propan-2-yltriazole is sourced from PubChem (CID 146561791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).