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

C13F27N — CID 10233614

IUPAC1,2,2,3,3,4,5,5,6,6-decafluoro-N,4-bis(trifluoromethyl)-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexan-1-amine
SMILESFC(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C13F27N/c14-1(10(30,31)32)2(15,16)5(21,22)9(29,6(23,24)3(1,17)18)41(13(38,39)40)12(36,37)8(27,28)4(19,20)7(25,26)11(33,34)35
InChIKeyCFLNDJSDLZARSN-UHFFFAOYSA-N
MW683.10 g/mol
LogP8.36
Rot. Bonds5

About 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

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 (PubChem CID 10233614) has the molecular formula C13F27N and a molecular weight of 683.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,2,2,3,3,4,5,5,6,6-decafluoro-N,4-bis(trifluoromethyl)-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexan-1-amine
PubChem CID10233614
Molecular FormulaC13F27N
Molecular Weight683.10 g/mol
Exact Mass682.96
IUPAC Name1,2,2,3,3,4,5,5,6,6-decafluoro-N,4-bis(trifluoromethyl)-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexan-1-amine
SMILESFC(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C13F27N/c14-1(10(30,31)32)2(15,16)5(21,22)9(29,6(23,24)3(1,17)18)41(13(38,39)40)12(36,37)8(27,28)4(19,20)7(25,26)11(33,34)35
InChIKeyCFLNDJSDLZARSN-UHFFFAOYSA-N
XLogP8.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.10
LogP ≤ 58.36
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 1,2,2,3,3,4,5,5,6,6-decafluoro-N,4-bis(trifluoromethyl)-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)cyclohexan-1-amine with MolForge

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Related Compounds

1-(1,2,2,3,3,4,5,5,6,6-Decafluoro-4-(trifluoromethyl)cyclohexyl)-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine
CID 121962
Perfluoromethylpropyl-(4-methylcyclohexyl)amine
CID 10231983
Perfluoro-n-(4-methylcyclohexyl)-2-methylpyrrolidine
CID 88080549
perfluorodiethyl-N-(4-methylcyclohexyl)amine
CID 14225133
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
1,1-difluoro-N,N-bis(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanamine
CID 11648711
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
Perfluoro-N-(4-methylcyclohexyl)-1-methylpiperidinium
CID 88081075
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-[2,2,3,3,4,5,5,6,6-nonafluoro-1,4-bis(trifluoromethyl)cyclohexyl]piperidine
CID 141517476

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 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?
The InChIKey is CFLNDJSDLZARSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13F27N/c14-1(10(30,31)32)2(15,16)5(21,22)9(29,6(23,24)3(1,17)18)41(13(38,39)40)12(36,37)8(27,28)4(19,20)7(25,26)11(33,34)35.
What are the key properties of 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?
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 has a molecular weight of 683.10 g/mol, XLogP of 8.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10233614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).