N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-amine

C12H21F6NO — CID 102723172

IUPACN-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-amine
SMILESCC(CCCNC(C)(C)C)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H21F6NO/c1-8(6-5-7-19-10(2,3)4)20-9(11(13,14)15)12(16,17)18/h8-9,19H,5-7H2,1-4H3
InChIKeyCCXZPWMPSUFQTJ-UHFFFAOYSA-N
MW309.29 g/mol
LogP4.05
Rot. Bonds6

About N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-amine

N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-amine (PubChem CID 102723172) has the molecular formula C12H21F6NO and a molecular weight of 309.29 g/mol. Its IUPAC name is N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-amine
PubChem CID102723172
Molecular FormulaC12H21F6NO
Molecular Weight309.29 g/mol
Exact Mass309.15
IUPAC NameN-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-amine
SMILESCC(CCCNC(C)(C)C)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H21F6NO/c1-8(6-5-7-19-10(2,3)4)20-9(11(13,14)15)12(16,17)18/h8-9,19H,5-7H2,1-4H3
InChIKeyCCXZPWMPSUFQTJ-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.05
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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-amine (CID 102723172) is N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-amine is CC(CCCNC(C)(C)C)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-amine?
The InChIKey is CCXZPWMPSUFQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F6NO/c1-8(6-5-7-19-10(2,3)4)20-9(11(13,14)15)12(16,17)18/h8-9,19H,5-7H2,1-4H3.
What are the key properties of N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-amine?
N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-amine has a molecular weight of 309.29 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-amine is sourced from PubChem (CID 102723172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).