N-tert-butyl-4-(2,2-difluoroethoxy)pentan-1-amine

C11H23F2NO — CID 82007232

IUPACN-tert-butyl-4-(2,2-difluoroethoxy)pentan-1-amine
SMILESCC(CCCNC(C)(C)C)OCC(F)F
InChIInChI=1S/C11H23F2NO/c1-9(15-8-10(12)13)6-5-7-14-11(2,3)4/h9-10,14H,5-8H2,1-4H3
InChIKeyLYKKFISICRBSAD-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.82
Rot. Bonds7

About N-tert-butyl-4-(2,2-difluoroethoxy)pentan-1-amine

N-tert-butyl-4-(2,2-difluoroethoxy)pentan-1-amine (PubChem CID 82007232) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is N-tert-butyl-4-(2,2-difluoroethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(2,2-difluoroethoxy)pentan-1-amine
PubChem CID82007232
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC NameN-tert-butyl-4-(2,2-difluoroethoxy)pentan-1-amine
SMILESCC(CCCNC(C)(C)C)OCC(F)F
InChIInChI=1S/C11H23F2NO/c1-9(15-8-10(12)13)6-5-7-14-11(2,3)4/h9-10,14H,5-8H2,1-4H3
InChIKeyLYKKFISICRBSAD-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-4-(2,2-difluoroethoxy)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 126671493
N-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 142009793
N-tert-butyl-3,3-difluoro-4-[2-(2-propan-2-yloxyethoxy)ethoxy]butan-1-amine
CID 146574409
N-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine
CID 146607019
N-[3-(2,2-difluorobutoxy)propyl]-2-methylpropan-2-amine
CID 161036343
N-[3-(2,2-difluorobutoxy)-2-fluoropropyl]-2-methylpropan-2-amine
CID 161036344
N-tert-butyl-3,3-difluoro-4-(2-propoxyethoxy)butan-1-amine
CID 161036346
N-(3-butoxy-2,2-difluoropropyl)-2-methylpropan-2-amine
CID 161286343
N-tert-butyl-3-fluoro-4-propoxybutan-1-amine
CID 161607676
N-tert-butyl-3,3-difluoro-4-propoxybutan-1-amine
CID 161607677
N-tert-butyl-3,3-difluoro-5-propoxypentan-1-amine
CID 161607679
N-[2,2-difluoro-3-(2-fluorobutoxy)propyl]-2-methylpropan-2-amine
CID 161888068

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2,2-difluoroethoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-4-(2,2-difluoroethoxy)pentan-1-amine (CID 82007232) is N-tert-butyl-4-(2,2-difluoroethoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(2,2-difluoroethoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-(2,2-difluoroethoxy)pentan-1-amine is CC(CCCNC(C)(C)C)OCC(F)F.
What is the InChIKey of N-tert-butyl-4-(2,2-difluoroethoxy)pentan-1-amine?
The InChIKey is LYKKFISICRBSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO/c1-9(15-8-10(12)13)6-5-7-14-11(2,3)4/h9-10,14H,5-8H2,1-4H3.
What are the key properties of N-tert-butyl-4-(2,2-difluoroethoxy)pentan-1-amine?
N-tert-butyl-4-(2,2-difluoroethoxy)pentan-1-amine has a molecular weight of 223.31 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2,2-difluoroethoxy)pentan-1-amine is sourced from PubChem (CID 82007232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).