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

C12H8F17NO — CID 130427256

IUPAC1,1,1,3,3-pentafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)propan-2-amine
SMILESFC(C(F)(F)F)C(F)(F)C1CCC(C(F)(F)C(N(C(F)(F)F)C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C12H8F17NO/c13-5(9(18,19)20)7(14,15)3-1-2-4(31-3)8(16,17)6(10(21,22)23)30(11(24,25)26)12(27,28)29/h3-6H,1-2H2
InChIKeyQIBLVYKZJATCAT-UHFFFAOYSA-N
MW505.17 g/mol
LogP5.98
Rot. Bonds5

About 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

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 (PubChem CID 130427256) has the molecular formula C12H8F17NO and a molecular weight of 505.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)propan-2-amine
PubChem CID130427256
Molecular FormulaC12H8F17NO
Molecular Weight505.17 g/mol
Exact Mass505.03
IUPAC Name1,1,1,3,3-pentafluoro-3-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]-N,N-bis(trifluoromethyl)propan-2-amine
SMILESFC(C(F)(F)F)C(F)(F)C1CCC(C(F)(F)C(N(C(F)(F)F)C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C12H8F17NO/c13-5(9(18,19)20)7(14,15)3-1-2-4(31-3)8(16,17)6(10(21,22)23)30(11(24,25)26)12(27,28)29/h3-6H,1-2H2
InChIKeyQIBLVYKZJATCAT-UHFFFAOYSA-N
XLogP5.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.17
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine;hydrofluoride
CID 161145766
4-[1,2,2-trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]-2,6-bis(trifluoromethyl)morpholine
CID 130427257
1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine
CID 130427250
4-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-2,6-bis(trifluoromethyl)morpholine
CID 130427251
1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-4-(trifluoromethyl)piperazine
CID 130427264
3,4-dibromo-1,1,1,2,3-pentafluorobutane
CID 162536508
2-(1,1,2,2-tetrafluoroethyl)oxirane
CID 87603604
1,1,1,3,3,3-hexafluoro-N,N-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)propan-2-amine
CID 165176683
5-(1,1,2,3,3,3-hexafluoropropyl)bicyclo[2.2.1]hept-2-ene
CID 152653789
4-(1,2,3,3,3-pentafluoropropyl)-2,6-bis(trifluoromethyl)morpholine
CID 162606326
1-[1,2,2-trifluoro-2-[5-(2,2,3,4,4,4-hexafluorobutyl)-1,4-dioxan-2-yl]ethyl]pyrrolidine
CID 137452160
3,4,5,5,5-pentafluoro-3-(1,2,2,2-tetrafluoroethyl)pent-1-yne
CID 12758794

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(C(F)(F)F)C(F)(F)C1CCC(C(F)(F)C(N(C(F)(F)F)C(F)(F)F)C(F)(F)F)O1.
What is the InChIKey of 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?
The InChIKey is QIBLVYKZJATCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F17NO/c13-5(9(18,19)20)7(14,15)3-1-2-4(31-3)8(16,17)6(10(21,22)23)30(11(24,25)26)12(27,28)29/h3-6H,1-2H2.
What are the key properties of 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?
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 has a molecular weight of 505.17 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 130427256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).