N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-N'-methylpyridine-4-carbohydrazide

C17H14F7N3O — CID 87542760

IUPACN-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-N'-methylpyridine-4-carbohydrazide
SMILESCNN(Cc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(=O)c1ccncc1
InChIInChI=1S/C17H14F7N3O/c1-25-27(14(28)12-6-8-26-9-7-12)10-11-2-4-13(5-3-11)15(18,16(19,20)21)17(22,23)24/h2-9,25H,10H2,1H3
InChIKeyUVGMOVUQSJTJGH-UHFFFAOYSA-N
MW409.31 g/mol
LogP4.15
Rot. Bonds5

About N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-N'-methylpyridine-4-carbohydrazide

N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-N'-methylpyridine-4-carbohydrazide (PubChem CID 87542760) has the molecular formula C17H14F7N3O and a molecular weight of 409.31 g/mol. Its IUPAC name is N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-N'-methylpyridine-4-carbohydrazide.

Molecular Properties

Compound NameN-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-N'-methylpyridine-4-carbohydrazide
PubChem CID87542760
Molecular FormulaC17H14F7N3O
Molecular Weight409.31 g/mol
Exact Mass409.10
IUPAC NameN-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-N'-methylpyridine-4-carbohydrazide
SMILESCNN(Cc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(=O)c1ccncc1
InChIInChI=1S/C17H14F7N3O/c1-25-27(14(28)12-6-8-26-9-7-12)10-11-2-4-13(5-3-11)15(18,16(19,20)21)17(22,23)24/h2-9,25H,10H2,1H3
InChIKeyUVGMOVUQSJTJGH-UHFFFAOYSA-N
XLogP4.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-N'-methylpyridine-4-carbohydrazide?
The IUPAC name of N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-N'-methylpyridine-4-carbohydrazide (CID 87542760) is N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-N'-methylpyridine-4-carbohydrazide.
What is the SMILES notation for N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-N'-methylpyridine-4-carbohydrazide?
The canonical SMILES for N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-N'-methylpyridine-4-carbohydrazide is CNN(Cc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(=O)c1ccncc1.
What is the InChIKey of N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-N'-methylpyridine-4-carbohydrazide?
The InChIKey is UVGMOVUQSJTJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F7N3O/c1-25-27(14(28)12-6-8-26-9-7-12)10-11-2-4-13(5-3-11)15(18,16(19,20)21)17(22,23)24/h2-9,25H,10H2,1H3.
What are the key properties of N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-N'-methylpyridine-4-carbohydrazide?
N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-N'-methylpyridine-4-carbohydrazide has a molecular weight of 409.31 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-N'-methylpyridine-4-carbohydrazide is sourced from PubChem (CID 87542760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).