[4-[[(1S,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methoxy]-3-(trifluoromethyl)-2-pyridinyl]hydrazine

C17H15F6N3O2 — CID 122461205

IUPAC[4-[[(1S,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methoxy]-3-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1nccc(OC[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C17H15F6N3O2/c18-16(19,20)14-13(5-6-25-15(14)26-24)27-8-9-7-11(9)10-3-1-2-4-12(10)28-17(21,22)23/h1-6,9,11H,7-8,24H2,(H,25,26)/t9-,11+/m1/s1
InChIKeyPAJFKTQQERICPY-KOLCDFICSA-N
MW407.31 g/mol
LogP4.47
Rot. Bonds6

About [4-[[(1S,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methoxy]-3-(trifluoromethyl)-2-pyridinyl]hydrazine

[4-[[(1S,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methoxy]-3-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 122461205) has the molecular formula C17H15F6N3O2 and a molecular weight of 407.31 g/mol. Its IUPAC name is [4-[[(1S,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methoxy]-3-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[4-[[(1S,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methoxy]-3-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID122461205
Molecular FormulaC17H15F6N3O2
Molecular Weight407.31 g/mol
Exact Mass407.11
IUPAC Name[4-[[(1S,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methoxy]-3-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1nccc(OC[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C17H15F6N3O2/c18-16(19,20)14-13(5-6-25-15(14)26-24)27-8-9-7-11(9)10-3-1-2-4-12(10)28-17(21,22)23/h1-6,9,11H,7-8,24H2,(H,25,26)/t9-,11+/m1/s1
InChIKeyPAJFKTQQERICPY-KOLCDFICSA-N
XLogP4.47
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(trifluoromethoxy)phenyl]cyclobutyl]pyridine
CID 173469072
(2R)-2-[2-(trifluoromethoxy)phenyl]oxirane
CID 83128862
2-chloro-4-[[(1S,2S)-2-(2-fluoro-6-methoxyphenyl)cyclopropyl]methoxy]-3-(trifluoromethyl)pyridine
CID 122461203
[2-[2-(trifluoromethoxy)phenyl]cycloheptyl]methanamine
CID 81009543
1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene
CID 91212316
1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 43150354
cis-(1S,2R)-N-(1,2,4-triazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 97260175
trans-(1S,2S)-N-(1,2,4-triazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 97260176
cis-(1R,2S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 95775915
cis-(1R,2S)-N-(1,2,4-triazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 97260178
2-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidine
CID 174787817
2-[oxan-4-yl-[(1R,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid
CID 125151976

Frequently Asked Questions

What is the IUPAC name of [4-[[(1S,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methoxy]-3-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [4-[[(1S,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methoxy]-3-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 122461205) is [4-[[(1S,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methoxy]-3-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [4-[[(1S,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methoxy]-3-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [4-[[(1S,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methoxy]-3-(trifluoromethyl)-2-pyridinyl]hydrazine is NNc1nccc(OC[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c1C(F)(F)F.
What is the InChIKey of [4-[[(1S,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methoxy]-3-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is PAJFKTQQERICPY-KOLCDFICSA-N. The full InChI is InChI=1S/C17H15F6N3O2/c18-16(19,20)14-13(5-6-25-15(14)26-24)27-8-9-7-11(9)10-3-1-2-4-12(10)28-17(21,22)23/h1-6,9,11H,7-8,24H2,(H,25,26)/t9-,11+/m1/s1.
What are the key properties of [4-[[(1S,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methoxy]-3-(trifluoromethyl)-2-pyridinyl]hydrazine?
[4-[[(1S,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methoxy]-3-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 407.31 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(1S,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methoxy]-3-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 122461205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).