1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine

C12H14F11NO — CID 130418343

IUPAC1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine
SMILESFC(C(F)(F)F)C(F)(F)COCC(F)(C(F)N1CCCC1)C(F)(F)F
InChIInChI=1S/C12H14F11NO/c13-7(11(18,19)20)10(16,17)6-25-5-9(15,12(21,22)23)8(14)24-3-1-2-4-24/h7-8H,1-6H2
InChIKeySXVDLZBSQNLXCC-UHFFFAOYSA-N
MW397.23 g/mol
LogP4.20
Rot. Bonds7

About 1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine

1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine (PubChem CID 130418343) has the molecular formula C12H14F11NO and a molecular weight of 397.23 g/mol. Its IUPAC name is 1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine
PubChem CID130418343
Molecular FormulaC12H14F11NO
Molecular Weight397.23 g/mol
Exact Mass397.09
IUPAC Name1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine
SMILESFC(C(F)(F)F)C(F)(F)COCC(F)(C(F)N1CCCC1)C(F)(F)F
InChIInChI=1S/C12H14F11NO/c13-7(11(18,19)20)10(16,17)6-25-5-9(15,12(21,22)23)8(14)24-3-1-2-4-24/h7-8H,1-6H2
InChIKeySXVDLZBSQNLXCC-UHFFFAOYSA-N
XLogP4.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 54.20
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-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine
CID 18725561
3,3-Difluoro-1-(3-methoxypropyl)pyrrolidine
CID 21035011
1-(1,1,2,2,3,3-Hexafluoro-3-methoxypropyl)pyrrolidine
CID 57884774
2,2,3,3,4,4,5,5-Octafluoro-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine
CID 130407887
1-[1,2,2-Trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine
CID 130418347
1-[1,1,1,3,3-Pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]pyrrolidine
CID 130418358
1-[1,2,2-Trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]pyrrolidine
CID 130418392
1-[1,2-Difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine
CID 130418410
1-[(1R)-1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine
CID 130418419
1-[(1R)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine
CID 130418455
1-[1-(2,2,3,3,4,4,5,5-Octafluoropentoxy)ethyl]pyrrolidine
CID 134263894
3,3-Difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
CID 138601828

Frequently Asked Questions

What is the IUPAC name of 1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine?
The IUPAC name of 1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine (CID 130418343) is 1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine.
What is the SMILES notation for 1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine?
The canonical SMILES for 1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine is FC(C(F)(F)F)C(F)(F)COCC(F)(C(F)N1CCCC1)C(F)(F)F.
What is the InChIKey of 1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine?
The InChIKey is SXVDLZBSQNLXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F11NO/c13-7(11(18,19)20)10(16,17)6-25-5-9(15,12(21,22)23)8(14)24-3-1-2-4-24/h7-8H,1-6H2.
What are the key properties of 1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine?
1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine has a molecular weight of 397.23 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine is sourced from PubChem (CID 130418343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).