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

C8H2F15N — CID 87889098

IUPAC2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C8H2F15N/c9-1(7(18,19)20)3(10,11)2(24,8(21,22)23)5(14,15)6(16,17)4(1,12)13/h24H2
InChIKeyKFUYFDYYVDJFGF-UHFFFAOYSA-N
MW397.08 g/mol
LogP4.07
Rot. Bonds

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

2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)cyclohexan-1-amine (PubChem CID 87889098) has the molecular formula C8H2F15N and a molecular weight of 397.08 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)cyclohexan-1-amine
PubChem CID87889098
Molecular FormulaC8H2F15N
Molecular Weight397.08 g/mol
Exact Mass396.99
IUPAC Name2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C8H2F15N/c9-1(7(18,19)20)3(10,11)2(24,8(21,22)23)5(14,15)6(16,17)4(1,12)13/h24H2
InChIKeyKFUYFDYYVDJFGF-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.08
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)cyclohexan-1-amine (CID 87889098) is 2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)cyclohexan-1-amine is NC1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is KFUYFDYYVDJFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F15N/c9-1(7(18,19)20)3(10,11)2(24,8(21,22)23)5(14,15)6(16,17)4(1,12)13/h24H2.
What are the key properties of 2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)cyclohexan-1-amine?
2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 397.08 g/mol, XLogP of 4.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 87889098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).