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

C13F25N — CID 172569653

IUPAC1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(trifluoromethyl)-N-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)cyclohexan-1-amine
SMILESFC(F)(F)N(C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13F25N/c14-1(15)3(18,19)7(26,27)11(34,8(28,29)4(1,20)21)39(13(36,37)38)12(35)9(30,31)5(22,23)2(16,17)6(24,25)10(12,32)33
InChIKeyJMOPZSMZHNVAQH-UHFFFAOYSA-N
MW645.10 g/mol
LogP7.52
Rot. Bonds2

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

1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(trifluoromethyl)-N-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)cyclohexan-1-amine (PubChem CID 172569653) has the molecular formula C13F25N and a molecular weight of 645.10 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(trifluoromethyl)-N-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(trifluoromethyl)-N-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)cyclohexan-1-amine
PubChem CID172569653
Molecular FormulaC13F25N
Molecular Weight645.10 g/mol
Exact Mass644.96
IUPAC Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(trifluoromethyl)-N-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)cyclohexan-1-amine
SMILESFC(F)(F)N(C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13F25N/c14-1(15)3(18,19)7(26,27)11(34,8(28,29)4(1,20)21)39(13(36,37)38)12(35)9(30,31)5(22,23)2(16,17)6(24,25)10(12,32)33
InChIKeyJMOPZSMZHNVAQH-UHFFFAOYSA-N
XLogP7.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.10
LogP ≤ 57.52
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(trifluoromethyl)-N-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)cyclohexan-1-amine?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(trifluoromethyl)-N-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)cyclohexan-1-amine (CID 172569653) is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(trifluoromethyl)-N-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(trifluoromethyl)-N-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(trifluoromethyl)-N-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)cyclohexan-1-amine is FC(F)(F)N(C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(trifluoromethyl)-N-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)cyclohexan-1-amine?
The InChIKey is JMOPZSMZHNVAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13F25N/c14-1(15)3(18,19)7(26,27)11(34,8(28,29)4(1,20)21)39(13(36,37)38)12(35)9(30,31)5(22,23)2(16,17)6(24,25)10(12,32)33.
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(trifluoromethyl)-N-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)cyclohexan-1-amine?
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(trifluoromethyl)-N-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)cyclohexan-1-amine has a molecular weight of 645.10 g/mol, XLogP of 7.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(trifluoromethyl)-N-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 172569653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).