N,1,2,2,3,3,4,5,5,6,6-undecafluoro-N,4-bis(trifluoromethyl)cyclohexan-1-amine

C8F17N — CID 164606096

IUPACN,1,2,2,3,3,4,5,5,6,6-undecafluoro-N,4-bis(trifluoromethyl)cyclohexan-1-amine
SMILESFN(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/C8F17N/c9-1(7(19,20)21)2(10,11)4(14,15)6(18,26(25)8(22,23)24)5(16,17)3(1,12)13
InChIKeyMKDOFLQTEFHKNA-UHFFFAOYSA-N
MW433.06 g/mol
LogP5.18
Rot. Bonds1

About N,1,2,2,3,3,4,5,5,6,6-undecafluoro-N,4-bis(trifluoromethyl)cyclohexan-1-amine

N,1,2,2,3,3,4,5,5,6,6-undecafluoro-N,4-bis(trifluoromethyl)cyclohexan-1-amine (PubChem CID 164606096) has the molecular formula C8F17N and a molecular weight of 433.06 g/mol. Its IUPAC name is N,1,2,2,3,3,4,5,5,6,6-undecafluoro-N,4-bis(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,1,2,2,3,3,4,5,5,6,6-undecafluoro-N,4-bis(trifluoromethyl)cyclohexan-1-amine
PubChem CID164606096
Molecular FormulaC8F17N
Molecular Weight433.06 g/mol
Exact Mass432.98
IUPAC NameN,1,2,2,3,3,4,5,5,6,6-undecafluoro-N,4-bis(trifluoromethyl)cyclohexan-1-amine
SMILESFN(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/C8F17N/c9-1(7(19,20)21)2(10,11)4(14,15)6(18,26(25)8(22,23)24)5(16,17)3(1,12)13
InChIKeyMKDOFLQTEFHKNA-UHFFFAOYSA-N
XLogP5.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.06
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,1,2,2,3,3,4,5,5,6,6-undecafluoro-N,4-bis(trifluoromethyl)cyclohexan-1-amine with MolForge

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Related Compounds

Perfluoromethylpropyl-(4-methylcyclohexyl)amine
CID 10231983
perfluorodiethyl-N-(4-methylcyclohexyl)amine
CID 14225133
1,1-difluoro-N,N-bis(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanamine
CID 11648711
Perfluoromethylbutyl-(4-methylcyclohexyl)-amine
CID 87984083
N,1,1,1,2,2,3,4,5,5,6,7,7,7-tetradecafluoro-N,4,6-tris(trifluoromethyl)heptan-3-amine
CID 88604470
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 N,1,2,2,3,3,4,5,5,6,6-undecafluoro-N,4-bis(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N,1,2,2,3,3,4,5,5,6,6-undecafluoro-N,4-bis(trifluoromethyl)cyclohexan-1-amine (CID 164606096) is N,1,2,2,3,3,4,5,5,6,6-undecafluoro-N,4-bis(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N,1,2,2,3,3,4,5,5,6,6-undecafluoro-N,4-bis(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N,1,2,2,3,3,4,5,5,6,6-undecafluoro-N,4-bis(trifluoromethyl)cyclohexan-1-amine is FN(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 N,1,2,2,3,3,4,5,5,6,6-undecafluoro-N,4-bis(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is MKDOFLQTEFHKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F17N/c9-1(7(19,20)21)2(10,11)4(14,15)6(18,26(25)8(22,23)24)5(16,17)3(1,12)13.
What are the key properties of N,1,2,2,3,3,4,5,5,6,6-undecafluoro-N,4-bis(trifluoromethyl)cyclohexan-1-amine?
N,1,2,2,3,3,4,5,5,6,6-undecafluoro-N,4-bis(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 433.06 g/mol, XLogP of 5.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,2,2,3,3,4,5,5,6,6-undecafluoro-N,4-bis(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 164606096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).