[3-(2,2-difluoroethoxy)-1-(3-methylcyclohexyl)propyl]hydrazine

C12H24F2N2O — CID 103152005

IUPAC[3-(2,2-difluoroethoxy)-1-(3-methylcyclohexyl)propyl]hydrazine
SMILESCC1CCCC(C(CCOCC(F)F)NN)C1
InChIInChI=1S/C12H24F2N2O/c1-9-3-2-4-10(7-9)11(16-15)5-6-17-8-12(13)14/h9-12,16H,2-8,15H2,1H3
InChIKeyNBIMJHPKXUQUKA-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.32
Rot. Bonds7

About [3-(2,2-difluoroethoxy)-1-(3-methylcyclohexyl)propyl]hydrazine

[3-(2,2-difluoroethoxy)-1-(3-methylcyclohexyl)propyl]hydrazine (PubChem CID 103152005) has the molecular formula C12H24F2N2O and a molecular weight of 250.33 g/mol. Its IUPAC name is [3-(2,2-difluoroethoxy)-1-(3-methylcyclohexyl)propyl]hydrazine.

Molecular Properties

Compound Name[3-(2,2-difluoroethoxy)-1-(3-methylcyclohexyl)propyl]hydrazine
PubChem CID103152005
Molecular FormulaC12H24F2N2O
Molecular Weight250.33 g/mol
Exact Mass250.19
IUPAC Name[3-(2,2-difluoroethoxy)-1-(3-methylcyclohexyl)propyl]hydrazine
SMILESCC1CCCC(C(CCOCC(F)F)NN)C1
InChIInChI=1S/C12H24F2N2O/c1-9-3-2-4-10(7-9)11(16-15)5-6-17-8-12(13)14/h9-12,16H,2-8,15H2,1H3
InChIKeyNBIMJHPKXUQUKA-UHFFFAOYSA-N
XLogP2.32
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(8,8,8-Trifluoro-2-methoxy-2-methyloctan-4-yl)hydrazine
CID 103025443
[1-(4,4-Difluorocyclohexyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026280
[4-Methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine
CID 103026334
[4-Methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentyl]hydrazine
CID 103026483
1-(3-Ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148082
1-(3,5-Dimethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148201
3-(2,2-Difluoroethoxy)-1-(3-methylcyclohexyl)propan-1-amine
CID 103148837
3-(2,2-Difluoroethoxy)-1-(4-methylcyclohexyl)propan-1-amine
CID 103148920
3-(2,2-Difluoroethoxy)-1-(3-ethylcyclohexyl)propan-1-amine
CID 103148965
3-(2,2-Difluoroethoxy)-1-(3,5-dimethylcyclohexyl)propan-1-amine
CID 103149109
[1-Cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151444
[7-Methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine
CID 103151446

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoroethoxy)-1-(3-methylcyclohexyl)propyl]hydrazine?
The IUPAC name of [3-(2,2-difluoroethoxy)-1-(3-methylcyclohexyl)propyl]hydrazine (CID 103152005) is [3-(2,2-difluoroethoxy)-1-(3-methylcyclohexyl)propyl]hydrazine.
What is the SMILES notation for [3-(2,2-difluoroethoxy)-1-(3-methylcyclohexyl)propyl]hydrazine?
The canonical SMILES for [3-(2,2-difluoroethoxy)-1-(3-methylcyclohexyl)propyl]hydrazine is CC1CCCC(C(CCOCC(F)F)NN)C1.
What is the InChIKey of [3-(2,2-difluoroethoxy)-1-(3-methylcyclohexyl)propyl]hydrazine?
The InChIKey is NBIMJHPKXUQUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O/c1-9-3-2-4-10(7-9)11(16-15)5-6-17-8-12(13)14/h9-12,16H,2-8,15H2,1H3.
What are the key properties of [3-(2,2-difluoroethoxy)-1-(3-methylcyclohexyl)propyl]hydrazine?
[3-(2,2-difluoroethoxy)-1-(3-methylcyclohexyl)propyl]hydrazine has a molecular weight of 250.33 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoroethoxy)-1-(3-methylcyclohexyl)propyl]hydrazine is sourced from PubChem (CID 103152005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).