1-[1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethyl)pyrrolidine

C12F23N — CID 10232280

IUPAC1-[1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)C1(F)C(F)(F)N(C2(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C12F23N/c13-1(9(26,27)28)3(15,16)6(21,22)8(25,7(23,24)4(1,17)18)36-11(32,33)2(14,10(29,30)31)5(19,20)12(36,34)35
InChIKeyNZQPVKZALLSUOZ-UHFFFAOYSA-N
MW595.09 g/mol
LogP6.88
Rot. Bonds1

About 1-[1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethyl)pyrrolidine

1-[1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethyl)pyrrolidine (PubChem CID 10232280) has the molecular formula C12F23N and a molecular weight of 595.09 g/mol. Its IUPAC name is 1-[1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-[1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethyl)pyrrolidine
PubChem CID10232280
Molecular FormulaC12F23N
Molecular Weight595.09 g/mol
Exact Mass594.97
IUPAC Name1-[1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)C1(F)C(F)(F)N(C2(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C12F23N/c13-1(9(26,27)28)3(15,16)6(21,22)8(25,7(23,24)4(1,17)18)36-11(32,33)2(14,10(29,30)31)5(19,20)12(36,34)35
InChIKeyNZQPVKZALLSUOZ-UHFFFAOYSA-N
XLogP6.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.09
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethyl)pyrrolidine with MolForge

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Related Compounds

Perfluoromethylpropyl-(4-methylcyclohexyl)amine
CID 10231983
perfluoro-N-cyclohexyl-3-methylpyrrolidine
CID 13251101
Perfluoro-n-(4-methylcyclohexyl)-2-methylpyrrolidine
CID 88080549
perfluorodiethyl-N-(4-methylcyclohexyl)amine
CID 14225133
1-[1,2,2,3,3,4,4,5,5,6-Decafluoro-6-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine
CID 13251103
1-[1,2,2,3,3,4,4,5,6,6-Decafluoro-5-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine
CID 13251104
1-[1,2,2,3,3,4,5,5,6,6-Decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5-octafluoropyrrolidine
CID 13251105
Perfluoromethylbutyl-(4-methylcyclohexyl)-amine
CID 87984083
1,2,2,3,3,4,5,5,6,6-decafluoro-N,4-bis(trifluoromethyl)-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexan-1-amine
CID 10233614

Frequently Asked Questions

What is the IUPAC name of 1-[1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethyl)pyrrolidine?
The IUPAC name of 1-[1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethyl)pyrrolidine (CID 10232280) is 1-[1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 1-[1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 1-[1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethyl)pyrrolidine is FC(F)(F)C1(F)C(F)(F)N(C2(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C2(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 1-[1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethyl)pyrrolidine?
The InChIKey is NZQPVKZALLSUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F23N/c13-1(9(26,27)28)3(15,16)6(21,22)8(25,7(23,24)4(1,17)18)36-11(32,33)2(14,10(29,30)31)5(19,20)12(36,34)35.
What are the key properties of 1-[1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethyl)pyrrolidine?
1-[1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethyl)pyrrolidine has a molecular weight of 595.09 g/mol, XLogP of 6.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,5,5-heptafluoro-4-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 10232280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).