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

C10H21F2NO — CID 82007241

IUPACN-tert-butyl-4-(2,2-difluoroethoxy)butan-1-amine
SMILESCC(C)(C)NCCCCOCC(F)F
InChIInChI=1S/C10H21F2NO/c1-10(2,3)13-6-4-5-7-14-8-9(11)12/h9,13H,4-8H2,1-3H3
InChIKeyGGCUZCMYGTWITE-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.44
Rot. Bonds7

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

N-tert-butyl-4-(2,2-difluoroethoxy)butan-1-amine (PubChem CID 82007241) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is N-tert-butyl-4-(2,2-difluoroethoxy)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(2,2-difluoroethoxy)butan-1-amine
PubChem CID82007241
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC NameN-tert-butyl-4-(2,2-difluoroethoxy)butan-1-amine
SMILESCC(C)(C)NCCCCOCC(F)F
InChIInChI=1S/C10H21F2NO/c1-10(2,3)13-6-4-5-7-14-8-9(11)12/h9,13H,4-8H2,1-3H3
InChIKeyGGCUZCMYGTWITE-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.44
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-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine
CID 89110455
4-(4-fluorobutoxy)-N-methylbutan-1-amine
CID 129101679
N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3-fluorobutan-1-amine
CID 138460816
N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine
CID 138460818
N-tert-butyl-3,3-difluoro-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butan-1-amine
CID 141645572
N-tert-butyl-3,3-difluoro-4-[2-(2-propan-2-yloxyethoxy)ethoxy]butan-1-amine
CID 146574409
4-(Tert-butylamino)-3,3-difluorobutan-1-ol
CID 147517434
4-(Tert-butylamino)-2,2-difluorobutan-1-ol
CID 153299927
4-(2-aminoethoxy)-N-tert-butyl-3-fluorobutan-1-amine
CID 156047429
4-(2-aminoethoxy)-3,3-difluoro-N-propan-2-ylbutan-1-amine
CID 156142584
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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2,2-difluoroethoxy)butan-1-amine?
The IUPAC name of N-tert-butyl-4-(2,2-difluoroethoxy)butan-1-amine (CID 82007241) is N-tert-butyl-4-(2,2-difluoroethoxy)butan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(2,2-difluoroethoxy)butan-1-amine?
The canonical SMILES for N-tert-butyl-4-(2,2-difluoroethoxy)butan-1-amine is CC(C)(C)NCCCCOCC(F)F.
What is the InChIKey of N-tert-butyl-4-(2,2-difluoroethoxy)butan-1-amine?
The InChIKey is GGCUZCMYGTWITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO/c1-10(2,3)13-6-4-5-7-14-8-9(11)12/h9,13H,4-8H2,1-3H3.
What are the key properties of N-tert-butyl-4-(2,2-difluoroethoxy)butan-1-amine?
N-tert-butyl-4-(2,2-difluoroethoxy)butan-1-amine has a molecular weight of 209.28 g/mol, XLogP of 2.44, 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)butan-1-amine is sourced from PubChem (CID 82007241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).