5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentan-1-amine

C10H17F6NO — CID 102721784

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17F6NO/c1-8(2,6-17)4-3-5-18-7(9(11,12)13)10(14,15)16/h7H,3-6,17H2,1-2H3
InChIKeyXMKBHKDQRQQBSX-UHFFFAOYSA-N
MW281.24 g/mol
LogP3.26
Rot. Bonds6

About 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentan-1-amine

5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentan-1-amine (PubChem CID 102721784) has the molecular formula C10H17F6NO and a molecular weight of 281.24 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentan-1-amine
PubChem CID102721784
Molecular FormulaC10H17F6NO
Molecular Weight281.24 g/mol
Exact Mass281.12
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17F6NO/c1-8(2,6-17)4-3-5-18-7(9(11,12)13)10(14,15)16/h7H,3-6,17H2,1-2H3
InChIKeyXMKBHKDQRQQBSX-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 53.26
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 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentan-1-amine (CID 102721784) is 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentan-1-amine is CC(C)(CN)CCCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentan-1-amine?
The InChIKey is XMKBHKDQRQQBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F6NO/c1-8(2,6-17)4-3-5-18-7(9(11,12)13)10(14,15)16/h7H,3-6,17H2,1-2H3.
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentan-1-amine?
5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentan-1-amine has a molecular weight of 281.24 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 102721784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).