N-(2,2-difluoro-3-pentoxypropyl)-N,2-dimethylpropan-1-amine

C13H27F2NO — CID 155455126

IUPACN-(2,2-difluoro-3-pentoxypropyl)-N,2-dimethylpropan-1-amine
SMILESCCCCCOCC(F)(F)CN(C)CC(C)C
InChIInChI=1S/C13H27F2NO/c1-5-6-7-8-17-11-13(14,15)10-16(4)9-12(2)3/h12H,5-11H2,1-4H3
InChIKeyWZTJBTWGPZLTGR-UHFFFAOYSA-N
MW251.36 g/mol
LogP3.42
Rot. Bonds10

About N-(2,2-difluoro-3-pentoxypropyl)-N,2-dimethylpropan-1-amine

N-(2,2-difluoro-3-pentoxypropyl)-N,2-dimethylpropan-1-amine (PubChem CID 155455126) has the molecular formula C13H27F2NO and a molecular weight of 251.36 g/mol. Its IUPAC name is N-(2,2-difluoro-3-pentoxypropyl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoro-3-pentoxypropyl)-N,2-dimethylpropan-1-amine
PubChem CID155455126
Molecular FormulaC13H27F2NO
Molecular Weight251.36 g/mol
Exact Mass251.21
IUPAC NameN-(2,2-difluoro-3-pentoxypropyl)-N,2-dimethylpropan-1-amine
SMILESCCCCCOCC(F)(F)CN(C)CC(C)C
InChIInChI=1S/C13H27F2NO/c1-5-6-7-8-17-11-13(14,15)10-16(4)9-12(2)3/h12H,5-11H2,1-4H3
InChIKeyWZTJBTWGPZLTGR-UHFFFAOYSA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2,2-difluoro-3-pentoxypropyl)-N,2-dimethylpropan-1-amine?
The IUPAC name of N-(2,2-difluoro-3-pentoxypropyl)-N,2-dimethylpropan-1-amine (CID 155455126) is N-(2,2-difluoro-3-pentoxypropyl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-(2,2-difluoro-3-pentoxypropyl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-(2,2-difluoro-3-pentoxypropyl)-N,2-dimethylpropan-1-amine is CCCCCOCC(F)(F)CN(C)CC(C)C.
What is the InChIKey of N-(2,2-difluoro-3-pentoxypropyl)-N,2-dimethylpropan-1-amine?
The InChIKey is WZTJBTWGPZLTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F2NO/c1-5-6-7-8-17-11-13(14,15)10-16(4)9-12(2)3/h12H,5-11H2,1-4H3.
What are the key properties of N-(2,2-difluoro-3-pentoxypropyl)-N,2-dimethylpropan-1-amine?
N-(2,2-difluoro-3-pentoxypropyl)-N,2-dimethylpropan-1-amine has a molecular weight of 251.36 g/mol, XLogP of 3.42, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-pentoxypropyl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 155455126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).