N,N,1,1,1,3,3-heptafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-2-amine

C10H8F13NO — CID 137452210

IUPACN,N,1,1,1,3,3-heptafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-2-amine
SMILESFC(C(F)(F)F)C(F)(F)C1CCC(C(F)(F)C(N(F)F)C(F)(F)F)O1
InChIInChI=1S/C10H8F13NO/c11-5(9(16,17)18)7(12,13)3-1-2-4(25-3)8(14,15)6(24(22)23)10(19,20)21/h3-6H,1-2H2
InChIKeyWCPKHXYECNNRLW-UHFFFAOYSA-N
MW405.15 g/mol
LogP4.71
Rot. Bonds5

About N,N,1,1,1,3,3-heptafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-2-amine

N,N,1,1,1,3,3-heptafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-2-amine (PubChem CID 137452210) has the molecular formula C10H8F13NO and a molecular weight of 405.15 g/mol. Its IUPAC name is N,N,1,1,1,3,3-heptafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-2-amine.

Molecular Properties

Compound NameN,N,1,1,1,3,3-heptafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-2-amine
PubChem CID137452210
Molecular FormulaC10H8F13NO
Molecular Weight405.15 g/mol
Exact Mass405.04
IUPAC NameN,N,1,1,1,3,3-heptafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-2-amine
SMILESFC(C(F)(F)F)C(F)(F)C1CCC(C(F)(F)C(N(F)F)C(F)(F)F)O1
InChIInChI=1S/C10H8F13NO/c11-5(9(16,17)18)7(12,13)3-1-2-4(25-3)8(14,15)6(24(22)23)10(19,20)21/h3-6H,1-2H2
InChIKeyWCPKHXYECNNRLW-UHFFFAOYSA-N
XLogP4.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.15
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)ethanamine
CID 130427243
1,1,1,3,3-pentafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)propan-2-amine
CID 130427256
1-[5-(2-Amino-1,1,3,3,3-pentafluoropropyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine
CID 130427377
1-[5-(2-Amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine
CID 130427378
N,N,1,2,2-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethanamine
CID 137452190
N,N,1,2,3,3,3-heptafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-1-amine
CID 137452219
4,4,4-Trifluoro-1-(oxolan-2-yl)butan-2-amine
CID 62604262
5,5,5-Trifluoro-1-(oxolan-2-yl)pentan-2-amine
CID 64567828
6,6,6-Trifluoro-1-(oxolan-2-yl)hexan-2-amine
CID 115516320

Frequently Asked Questions

What is the IUPAC name of N,N,1,1,1,3,3-heptafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-2-amine?
The IUPAC name of N,N,1,1,1,3,3-heptafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-2-amine (CID 137452210) is N,N,1,1,1,3,3-heptafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-2-amine.
What is the SMILES notation for N,N,1,1,1,3,3-heptafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-2-amine?
The canonical SMILES for N,N,1,1,1,3,3-heptafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-2-amine is FC(C(F)(F)F)C(F)(F)C1CCC(C(F)(F)C(N(F)F)C(F)(F)F)O1.
What is the InChIKey of N,N,1,1,1,3,3-heptafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-2-amine?
The InChIKey is WCPKHXYECNNRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F13NO/c11-5(9(16,17)18)7(12,13)3-1-2-4(25-3)8(14,15)6(24(22)23)10(19,20)21/h3-6H,1-2H2.
What are the key properties of N,N,1,1,1,3,3-heptafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-2-amine?
N,N,1,1,1,3,3-heptafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-2-amine has a molecular weight of 405.15 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,1,1,3,3-heptafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-2-amine is sourced from PubChem (CID 137452210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).