N-[1-[2-(2-chlorophenyl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine

C12H12ClF6N3 — CID 88569191

IUPACN-[1-[2-(2-chlorophenyl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine
SMILESC=C(NNc1ccccc1Cl)NC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H12ClF6N3/c1-7(21-22-9-6-4-3-5-8(9)13)20-10(2,11(14,15)16)12(17,18)19/h3-6,20-22H,1H2,2H3
InChIKeyJKALZLDGWJPLQP-UHFFFAOYSA-N
MW347.69 g/mol
LogP4.20
Rot. Bonds5

About N-[1-[2-(2-chlorophenyl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine

N-[1-[2-(2-chlorophenyl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine (PubChem CID 88569191) has the molecular formula C12H12ClF6N3 and a molecular weight of 347.69 g/mol. Its IUPAC name is N-[1-[2-(2-chlorophenyl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[1-[2-(2-chlorophenyl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine
PubChem CID88569191
Molecular FormulaC12H12ClF6N3
Molecular Weight347.69 g/mol
Exact Mass347.06
IUPAC NameN-[1-[2-(2-chlorophenyl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine
SMILESC=C(NNc1ccccc1Cl)NC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H12ClF6N3/c1-7(21-22-9-6-4-3-5-8(9)13)20-10(2,11(14,15)16)12(17,18)19/h3-6,20-22H,1H2,2H3
InChIKeyJKALZLDGWJPLQP-UHFFFAOYSA-N
XLogP4.20
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.69
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-6-methylbenzenesulfonohydrazide
CID 162603750
N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]benzenesulfonohydrazide
CID 147257459
2-(2-chloroanilino)-3,3,3-trifluoro-2-methylpropanenitrile
CID 106523239
N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287271
N'-(2-chlorophenyl)prop-2-ynehydrazide
CID 130670182
1-benzyl-3-(2-chloroanilino)thiourea
CID 3585769
2-chloro-N-methylaniline;ethene
CID 142416453
methyl (Z)-3-[2-(2-chlorophenyl)hydrazinyl]-2-(trifluoromethyl)prop-2-enoate
CID 10613749
N-(2-chlorophenyl)-2,2-difluoro-3-oxobutanamide
CID 102107601
1-(2-chloroanilino)-2-methylbut-3-en-2-ol
CID 13123252
2-chloro-N-(4,4,4-trifluorobutyl)aniline
CID 115513479
N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108965988

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-chlorophenyl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine?
The IUPAC name of N-[1-[2-(2-chlorophenyl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine (CID 88569191) is N-[1-[2-(2-chlorophenyl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine.
What is the SMILES notation for N-[1-[2-(2-chlorophenyl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine?
The canonical SMILES for N-[1-[2-(2-chlorophenyl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine is C=C(NNc1ccccc1Cl)NC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[1-[2-(2-chlorophenyl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine?
The InChIKey is JKALZLDGWJPLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF6N3/c1-7(21-22-9-6-4-3-5-8(9)13)20-10(2,11(14,15)16)12(17,18)19/h3-6,20-22H,1H2,2H3.
What are the key properties of N-[1-[2-(2-chlorophenyl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine?
N-[1-[2-(2-chlorophenyl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine has a molecular weight of 347.69 g/mol, XLogP of 4.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-chlorophenyl)hydrazinyl]ethenyl]-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-amine is sourced from PubChem (CID 88569191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).