1,1,1,3,3,3-hexafluoro-N-(4-methoxyphenyl)propan-2-imine

C10H7F6NO — CID 15471547

IUPAC1,1,1,3,3,3-hexafluoro-N-(4-methoxyphenyl)propan-2-imine
SMILESCOc1ccc(N=C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C10H7F6NO/c1-18-7-4-2-6(3-5-7)17-8(9(11,12)13)10(14,15)16/h2-5H,1H3
InChIKeyFRNUJUDPEZOYJD-UHFFFAOYSA-N
MW271.16 g/mol
LogP3.89
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-N-(4-methoxyphenyl)propan-2-imine

1,1,1,3,3,3-hexafluoro-N-(4-methoxyphenyl)propan-2-imine (PubChem CID 15471547) has the molecular formula C10H7F6NO and a molecular weight of 271.16 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-N-(4-methoxyphenyl)propan-2-imine.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-N-(4-methoxyphenyl)propan-2-imine
PubChem CID15471547
Molecular FormulaC10H7F6NO
Molecular Weight271.16 g/mol
Exact Mass271.04
IUPAC Name1,1,1,3,3,3-hexafluoro-N-(4-methoxyphenyl)propan-2-imine
SMILESCOc1ccc(N=C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C10H7F6NO/c1-18-7-4-2-6(3-5-7)17-8(9(11,12)13)10(14,15)16/h2-5H,1H3
InChIKeyFRNUJUDPEZOYJD-UHFFFAOYSA-N
XLogP3.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 53.89
H-Bond Donors ≤ 50
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 1,1,1,3,3,3-hexafluoro-N-(4-methoxyphenyl)propan-2-imine?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-N-(4-methoxyphenyl)propan-2-imine (CID 15471547) is 1,1,1,3,3,3-hexafluoro-N-(4-methoxyphenyl)propan-2-imine.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-N-(4-methoxyphenyl)propan-2-imine?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-N-(4-methoxyphenyl)propan-2-imine is COc1ccc(N=C(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-N-(4-methoxyphenyl)propan-2-imine?
The InChIKey is FRNUJUDPEZOYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO/c1-18-7-4-2-6(3-5-7)17-8(9(11,12)13)10(14,15)16/h2-5H,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-N-(4-methoxyphenyl)propan-2-imine?
1,1,1,3,3,3-hexafluoro-N-(4-methoxyphenyl)propan-2-imine has a molecular weight of 271.16 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-N-(4-methoxyphenyl)propan-2-imine is sourced from PubChem (CID 15471547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).