5-(2,2-difluoroethoxy)-N-(2-methylpropyl)pentan-1-amine

C11H23F2NO — CID 82005380

IUPAC5-(2,2-difluoroethoxy)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCCCOCC(F)F
InChIInChI=1S/C11H23F2NO/c1-10(2)8-14-6-4-3-5-7-15-9-11(12)13/h10-11,14H,3-9H2,1-2H3
InChIKeyZKWWPXTUWHZYJG-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.68
Rot. Bonds10

About 5-(2,2-difluoroethoxy)-N-(2-methylpropyl)pentan-1-amine

5-(2,2-difluoroethoxy)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 82005380) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-N-(2-methylpropyl)pentan-1-amine
PubChem CID82005380
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC Name5-(2,2-difluoroethoxy)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCCCOCC(F)F
InChIInChI=1S/C11H23F2NO/c1-10(2)8-14-6-4-3-5-7-15-9-11(12)13/h10-11,14H,3-9H2,1-2H3
InChIKeyZKWWPXTUWHZYJG-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine
CID 106705883
5-(2-aminoethoxy)-3,3-difluoro-N-methylpentan-1-amine
CID 124200898
3,3-difluoro-5-methoxy-N-methylpentan-1-amine
CID 126619715
3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine
CID 126619717
N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 126671493
3,3-difluoro-N-(1-iodoethyl)-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 138656871
N-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-3-(trifluoromethyl)pentan-1-amine
CID 145366148
N-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine
CID 146342441
3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine
CID 146549602
5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine
CID 146587519
N-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine
CID 146607019
5-(2-aminoethoxy)-N-tert-butyl-3,3-difluoropentan-1-amine
CID 148359769

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-(2,2-difluoroethoxy)-N-(2-methylpropyl)pentan-1-amine (CID 82005380) is 5-(2,2-difluoroethoxy)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-(2,2-difluoroethoxy)-N-(2-methylpropyl)pentan-1-amine is CC(C)CNCCCCCOCC(F)F.
What is the InChIKey of 5-(2,2-difluoroethoxy)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is ZKWWPXTUWHZYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO/c1-10(2)8-14-6-4-3-5-7-15-9-11(12)13/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 5-(2,2-difluoroethoxy)-N-(2-methylpropyl)pentan-1-amine?
5-(2,2-difluoroethoxy)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 223.31 g/mol, XLogP of 2.68, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 82005380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).