1,1-difluoro-N,N-bis(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanamine

C9F19N — CID 11648711

IUPAC1,1-difluoro-N,N-bis(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanamine
SMILESFC(F)(F)N(C(F)(F)F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9F19N/c10-1(7(21,22)29(8(23,24)25)9(26,27)28)2(11,12)4(15,16)6(19,20)5(17,18)3(1,13)14
InChIKeyLOGBFWQUXOFEIL-UHFFFAOYSA-N
MW483.07 g/mol
LogP5.82
Rot. Bonds2

About 1,1-difluoro-N,N-bis(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanamine

1,1-difluoro-N,N-bis(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanamine (PubChem CID 11648711) has the molecular formula C9F19N and a molecular weight of 483.07 g/mol. Its IUPAC name is 1,1-difluoro-N,N-bis(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanamine.

Molecular Properties

Compound Name1,1-difluoro-N,N-bis(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanamine
PubChem CID11648711
Molecular FormulaC9F19N
Molecular Weight483.07 g/mol
Exact Mass482.97
IUPAC Name1,1-difluoro-N,N-bis(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanamine
SMILESFC(F)(F)N(C(F)(F)F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9F19N/c10-1(7(21,22)29(8(23,24)25)9(26,27)28)2(11,12)4(15,16)6(19,20)5(17,18)3(1,13)14
InChIKeyLOGBFWQUXOFEIL-UHFFFAOYSA-N
XLogP5.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.07
LogP ≤ 55.82
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 1,1-difluoro-N,N-bis(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanamine?
The IUPAC name of 1,1-difluoro-N,N-bis(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanamine (CID 11648711) is 1,1-difluoro-N,N-bis(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanamine.
What is the SMILES notation for 1,1-difluoro-N,N-bis(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanamine?
The canonical SMILES for 1,1-difluoro-N,N-bis(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanamine is FC(F)(F)N(C(F)(F)F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1-difluoro-N,N-bis(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanamine?
The InChIKey is LOGBFWQUXOFEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F19N/c10-1(7(21,22)29(8(23,24)25)9(26,27)28)2(11,12)4(15,16)6(19,20)5(17,18)3(1,13)14.
What are the key properties of 1,1-difluoro-N,N-bis(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanamine?
1,1-difluoro-N,N-bis(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanamine has a molecular weight of 483.07 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N,N-bis(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanamine is sourced from PubChem (CID 11648711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).