[3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine

C16H24ClFN2O — CID 103044125

IUPAC[3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine
SMILESCOC(C1CCCCC1)C(Cc1ccc(F)c(Cl)c1)NN
InChIInChI=1S/C16H24ClFN2O/c1-21-16(12-5-3-2-4-6-12)15(20-19)10-11-7-8-14(18)13(17)9-11/h7-9,12,15-16,20H,2-6,10,19H2,1H3
InChIKeyTUKFJTVEXCVINN-UHFFFAOYSA-N
MW314.83 g/mol
LogP3.45
Rot. Bonds6

About [3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine

[3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine (PubChem CID 103044125) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is [3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine
PubChem CID103044125
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name[3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine
SMILESCOC(C1CCCCC1)C(Cc1ccc(F)c(Cl)c1)NN
InChIInChI=1S/C16H24ClFN2O/c1-21-16(12-5-3-2-4-6-12)15(20-19)10-11-7-8-14(18)13(17)9-11/h7-9,12,15-16,20H,2-6,10,19H2,1H3
InChIKeyTUKFJTVEXCVINN-UHFFFAOYSA-N
XLogP3.45
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[1-cyclohexyl-3-(4-fluorophenyl)-1-methoxypropan-2-yl]hydrazine
CID 105278577
1-cyclohexyl-3-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
CID 116771493
[3-(2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine
CID 105278665
[3-(4-chlorophenyl)-1-cyclohexyl-1-ethoxypropan-2-yl]hydrazine
CID 105278948
(1-cyclohexyl-1-methoxy-3-thiophen-3-ylpropan-2-yl)hydrazine
CID 105278717
3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
CID 107884380
1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine
CID 103042970
2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 103039852
[3-(4-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine
CID 105272881
N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine
CID 103039853
[3-(2-chloro-3-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine
CID 105272648
[1-cyclohexyl-3-(furan-2-yl)-1-methoxypropan-2-yl]hydrazine
CID 105278680

Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine?
The IUPAC name of [3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine (CID 103044125) is [3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine.
What is the SMILES notation for [3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine?
The canonical SMILES for [3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine is COC(C1CCCCC1)C(Cc1ccc(F)c(Cl)c1)NN.
What is the InChIKey of [3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine?
The InChIKey is TUKFJTVEXCVINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2O/c1-21-16(12-5-3-2-4-6-12)15(20-19)10-11-7-8-14(18)13(17)9-11/h7-9,12,15-16,20H,2-6,10,19H2,1H3.
What are the key properties of [3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine?
[3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine has a molecular weight of 314.83 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine is sourced from PubChem (CID 103044125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).