[(1-ethoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]hydrazine

C15H21F3N2O — CID 105276212

IUPAC[(1-ethoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESCCOC1(C(NN)c2ccc(F)c(F)c2F)CCCCC1
InChIInChI=1S/C15H21F3N2O/c1-2-21-15(8-4-3-5-9-15)14(20-19)10-6-7-11(16)13(18)12(10)17/h6-7,14,20H,2-5,8-9,19H2,1H3
InChIKeyKMGTYJXQTLMHLG-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.35
Rot. Bonds5

About [(1-ethoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]hydrazine

[(1-ethoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]hydrazine (PubChem CID 105276212) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is [(1-ethoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(1-ethoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
PubChem CID105276212
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name[(1-ethoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESCCOC1(C(NN)c2ccc(F)c(F)c2F)CCCCC1
InChIInChI=1S/C15H21F3N2O/c1-2-21-15(8-4-3-5-9-15)14(20-19)10-6-7-11(16)13(18)12(10)17/h6-7,14,20H,2-5,8-9,19H2,1H3
InChIKeyKMGTYJXQTLMHLG-UHFFFAOYSA-N
XLogP3.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethoxycyclopentyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 116762310
[(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276350
[(1-ethoxycyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397682
[(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105278412
[(3,4-difluorophenyl)-(1-ethoxycyclopentyl)methyl]hydrazine
CID 105275720
1-(2,3-difluoro-4-methylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 107513876
[(2-chloro-5-fluorophenyl)-(1-ethoxycyclopentyl)methyl]hydrazine
CID 105397987
[(1-ethoxycyclohexyl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130905
[(5-chloro-2-methoxyphenyl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276423
N-[(1-methoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 116763285
[(1-ethoxycyclohexyl)-(3-fluorophenyl)methyl]hydrazine
CID 105276324
[(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105276457

Frequently Asked Questions

What is the IUPAC name of [(1-ethoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
The IUPAC name of [(1-ethoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]hydrazine (CID 105276212) is [(1-ethoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(1-ethoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
The canonical SMILES for [(1-ethoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]hydrazine is CCOC1(C(NN)c2ccc(F)c(F)c2F)CCCCC1.
What is the InChIKey of [(1-ethoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
The InChIKey is KMGTYJXQTLMHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-2-21-15(8-4-3-5-9-15)14(20-19)10-6-7-11(16)13(18)12(10)17/h6-7,14,20H,2-5,8-9,19H2,1H3.
What are the key properties of [(1-ethoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
[(1-ethoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]hydrazine has a molecular weight of 302.34 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-ethoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105276212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).