3,3-difluoro-5-[2-(2-methylbutan-2-ylamino)ethoxy]pentan-1-amine

C12H26F2N2O — CID 177010705

IUPAC3,3-difluoro-5-[2-(2-methylbutan-2-ylamino)ethoxy]pentan-1-amine
SMILESCCC(C)(C)NCCOCCC(F)(F)CCN
InChIInChI=1S/C12H26F2N2O/c1-4-11(2,3)16-8-10-17-9-6-12(13,14)5-7-15/h16H,4-10,15H2,1-3H3
InChIKeyFWFLPQMFOZKLRF-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.16
Rot. Bonds10

About 3,3-difluoro-5-[2-(2-methylbutan-2-ylamino)ethoxy]pentan-1-amine

3,3-difluoro-5-[2-(2-methylbutan-2-ylamino)ethoxy]pentan-1-amine (PubChem CID 177010705) has the molecular formula C12H26F2N2O and a molecular weight of 252.35 g/mol. Its IUPAC name is 3,3-difluoro-5-[2-(2-methylbutan-2-ylamino)ethoxy]pentan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-5-[2-(2-methylbutan-2-ylamino)ethoxy]pentan-1-amine
PubChem CID177010705
Molecular FormulaC12H26F2N2O
Molecular Weight252.35 g/mol
Exact Mass252.20
IUPAC Name3,3-difluoro-5-[2-(2-methylbutan-2-ylamino)ethoxy]pentan-1-amine
SMILESCCC(C)(C)NCCOCCC(F)(F)CCN
InChIInChI=1S/C12H26F2N2O/c1-4-11(2,3)16-8-10-17-9-6-12(13,14)5-7-15/h16H,4-10,15H2,1-3H3
InChIKeyFWFLPQMFOZKLRF-UHFFFAOYSA-N
XLogP2.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.16
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 3,3-difluoro-5-[2-(2-methylbutan-2-ylamino)ethoxy]pentan-1-amine?
The IUPAC name of 3,3-difluoro-5-[2-(2-methylbutan-2-ylamino)ethoxy]pentan-1-amine (CID 177010705) is 3,3-difluoro-5-[2-(2-methylbutan-2-ylamino)ethoxy]pentan-1-amine.
What is the SMILES notation for 3,3-difluoro-5-[2-(2-methylbutan-2-ylamino)ethoxy]pentan-1-amine?
The canonical SMILES for 3,3-difluoro-5-[2-(2-methylbutan-2-ylamino)ethoxy]pentan-1-amine is CCC(C)(C)NCCOCCC(F)(F)CCN.
What is the InChIKey of 3,3-difluoro-5-[2-(2-methylbutan-2-ylamino)ethoxy]pentan-1-amine?
The InChIKey is FWFLPQMFOZKLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26F2N2O/c1-4-11(2,3)16-8-10-17-9-6-12(13,14)5-7-15/h16H,4-10,15H2,1-3H3.
What are the key properties of 3,3-difluoro-5-[2-(2-methylbutan-2-ylamino)ethoxy]pentan-1-amine?
3,3-difluoro-5-[2-(2-methylbutan-2-ylamino)ethoxy]pentan-1-amine has a molecular weight of 252.35 g/mol, XLogP of 2.16, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-[2-(2-methylbutan-2-ylamino)ethoxy]pentan-1-amine is sourced from PubChem (CID 177010705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).