N-[(Z)-cyclohexa-2,4-dien-1-ylidene-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)methyl]-2,4,6-trimethylaniline

C19H18F6N2 — CID 135475255

IUPACN-[(Z)-cyclohexa-2,4-dien-1-ylidene-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)methyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(N/C(N=C(C(F)(F)F)C(F)(F)F)=C2/C=CC=CC2)c(C)c1
InChIInChI=1S/C19H18F6N2/c1-11-9-12(2)15(13(3)10-11)26-16(14-7-5-4-6-8-14)27-17(18(20,21)22)19(23,24)25/h4-7,9-10,26H,8H2,1-3H3/b16-14+
InChIKeyXSZZCTIMSRPCNO-JQIJEIRASA-N
MW388.36 g/mol
LogP6.32
Rot. Bonds3

About N-[(Z)-cyclohexa-2,4-dien-1-ylidene-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)methyl]-2,4,6-trimethylaniline

N-[(Z)-cyclohexa-2,4-dien-1-ylidene-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)methyl]-2,4,6-trimethylaniline (PubChem CID 135475255) has the molecular formula C19H18F6N2 and a molecular weight of 388.36 g/mol. Its IUPAC name is N-[(Z)-cyclohexa-2,4-dien-1-ylidene-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)methyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[(Z)-cyclohexa-2,4-dien-1-ylidene-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)methyl]-2,4,6-trimethylaniline
PubChem CID135475255
Molecular FormulaC19H18F6N2
Molecular Weight388.36 g/mol
Exact Mass388.14
IUPAC NameN-[(Z)-cyclohexa-2,4-dien-1-ylidene-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)methyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(N/C(N=C(C(F)(F)F)C(F)(F)F)=C2/C=CC=CC2)c(C)c1
InChIInChI=1S/C19H18F6N2/c1-11-9-12(2)15(13(3)10-11)26-16(14-7-5-4-6-8-14)27-17(18(20,21)22)19(23,24)25/h4-7,9-10,26H,8H2,1-3H3/b16-14+
InChIKeyXSZZCTIMSRPCNO-JQIJEIRASA-N
XLogP6.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.36
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-cyclohexa-2,4-dien-1-ylidene-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)methyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[(Z)-cyclohexa-2,4-dien-1-ylidene-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)methyl]-2,4,6-trimethylaniline (CID 135475255) is N-[(Z)-cyclohexa-2,4-dien-1-ylidene-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)methyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[(Z)-cyclohexa-2,4-dien-1-ylidene-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)methyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[(Z)-cyclohexa-2,4-dien-1-ylidene-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)methyl]-2,4,6-trimethylaniline is Cc1cc(C)c(N/C(N=C(C(F)(F)F)C(F)(F)F)=C2/C=CC=CC2)c(C)c1.
What is the InChIKey of N-[(Z)-cyclohexa-2,4-dien-1-ylidene-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)methyl]-2,4,6-trimethylaniline?
The InChIKey is XSZZCTIMSRPCNO-JQIJEIRASA-N. The full InChI is InChI=1S/C19H18F6N2/c1-11-9-12(2)15(13(3)10-11)26-16(14-7-5-4-6-8-14)27-17(18(20,21)22)19(23,24)25/h4-7,9-10,26H,8H2,1-3H3/b16-14+.
What are the key properties of N-[(Z)-cyclohexa-2,4-dien-1-ylidene-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)methyl]-2,4,6-trimethylaniline?
N-[(Z)-cyclohexa-2,4-dien-1-ylidene-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)methyl]-2,4,6-trimethylaniline has a molecular weight of 388.36 g/mol, XLogP of 6.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-cyclohexa-2,4-dien-1-ylidene-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)methyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 135475255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).