N'-[(3,3-difluorocyclohexyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine

C12H24F2N2O — CID 114226279

IUPACN'-[(3,3-difluorocyclohexyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNCC1CCCC(F)(F)C1
InChIInChI=1S/C12H24F2N2O/c1-17-8-7-15-5-6-16-10-11-3-2-4-12(13,14)9-11/h11,15-16H,2-10H2,1H3
InChIKeyUFCPXGQAMXROTQ-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.64
Rot. Bonds8

About N'-[(3,3-difluorocyclohexyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine

N'-[(3,3-difluorocyclohexyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 114226279) has the molecular formula C12H24F2N2O and a molecular weight of 250.33 g/mol. Its IUPAC name is N'-[(3,3-difluorocyclohexyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3,3-difluorocyclohexyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID114226279
Molecular FormulaC12H24F2N2O
Molecular Weight250.33 g/mol
Exact Mass250.19
IUPAC NameN'-[(3,3-difluorocyclohexyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNCC1CCCC(F)(F)C1
InChIInChI=1S/C12H24F2N2O/c1-17-8-7-15-5-6-16-10-11-3-2-4-12(13,14)9-11/h11,15-16H,2-10H2,1H3
InChIKeyUFCPXGQAMXROTQ-UHFFFAOYSA-N
XLogP1.64
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3,3-difluorocyclohexyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(3,3-difluorocyclohexyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine (CID 114226279) is N'-[(3,3-difluorocyclohexyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(3,3-difluorocyclohexyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(3,3-difluorocyclohexyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine is COCCNCCNCC1CCCC(F)(F)C1.
What is the InChIKey of N'-[(3,3-difluorocyclohexyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is UFCPXGQAMXROTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O/c1-17-8-7-15-5-6-16-10-11-3-2-4-12(13,14)9-11/h11,15-16H,2-10H2,1H3.
What are the key properties of N'-[(3,3-difluorocyclohexyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine?
N'-[(3,3-difluorocyclohexyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 250.33 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,3-difluorocyclohexyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 114226279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).