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

C8F17N — CID 12821977

IUPAC1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-bis(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)N(C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8F17N/c9-1(10)2(11,12)4(15,16)6(19,5(17,18)3(1,13)14)26(7(20,21)22)8(23,24)25
InChIKeyLIXDPHHZLNLBGW-UHFFFAOYSA-N
MW433.06 g/mol
LogP5.18
Rot. Bonds1

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

1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-bis(trifluoromethyl)cyclohexan-1-amine (PubChem CID 12821977) has the molecular formula C8F17N and a molecular weight of 433.06 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-bis(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-bis(trifluoromethyl)cyclohexan-1-amine
PubChem CID12821977
Molecular FormulaC8F17N
Molecular Weight433.06 g/mol
Exact Mass432.98
IUPAC Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-bis(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)N(C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8F17N/c9-1(10)2(11,12)4(15,16)6(19,5(17,18)3(1,13)14)26(7(20,21)22)8(23,24)25
InChIKeyLIXDPHHZLNLBGW-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': '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,N-bis(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-bis(trifluoromethyl)cyclohexan-1-amine (CID 12821977) is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-bis(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-bis(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-bis(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)N(C(F)(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,N-bis(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is LIXDPHHZLNLBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F17N/c9-1(10)2(11,12)4(15,16)6(19,5(17,18)3(1,13)14)26(7(20,21)22)8(23,24)25.
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-bis(trifluoromethyl)cyclohexan-1-amine?
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-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 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-bis(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 12821977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).