difluoromethane;ethane;fluoromethane;N-phenylmethanimine

C11H18F3N — CID 91088644

IUPACdifluoromethane;ethane;fluoromethane;N-phenylmethanimine
SMILESC=Nc1ccccc1.CC.CF.FCF
InChIInChI=1S/C7H7N.C2H6.CH2F2.CH3F/c1-8-7-5-3-2-4-6-7;1-2;2-1-3;1-2/h2-6H,1H2;1-2H3;1H2;1H3
InChIKeyOIYUANNZCKIVFU-UHFFFAOYSA-N
MW221.27 g/mol
LogP4.51
Rot. Bonds1

About difluoromethane;ethane;fluoromethane;N-phenylmethanimine

difluoromethane;ethane;fluoromethane;N-phenylmethanimine (PubChem CID 91088644) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is difluoromethane;ethane;fluoromethane;N-phenylmethanimine.

Molecular Properties

Compound Namedifluoromethane;ethane;fluoromethane;N-phenylmethanimine
PubChem CID91088644
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Namedifluoromethane;ethane;fluoromethane;N-phenylmethanimine
SMILESC=Nc1ccccc1.CC.CF.FCF
InChIInChI=1S/C7H7N.C2H6.CH2F2.CH3F/c1-8-7-5-3-2-4-6-7;1-2;2-1-3;1-2/h2-6H,1H2;1-2H3;1H2;1H3
InChIKeyOIYUANNZCKIVFU-UHFFFAOYSA-N
XLogP4.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of difluoromethane;ethane;fluoromethane;N-phenylmethanimine?
The IUPAC name of difluoromethane;ethane;fluoromethane;N-phenylmethanimine (CID 91088644) is difluoromethane;ethane;fluoromethane;N-phenylmethanimine.
What is the SMILES notation for difluoromethane;ethane;fluoromethane;N-phenylmethanimine?
The canonical SMILES for difluoromethane;ethane;fluoromethane;N-phenylmethanimine is C=Nc1ccccc1.CC.CF.FCF.
What is the InChIKey of difluoromethane;ethane;fluoromethane;N-phenylmethanimine?
The InChIKey is OIYUANNZCKIVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N.C2H6.CH2F2.CH3F/c1-8-7-5-3-2-4-6-7;1-2;2-1-3;1-2/h2-6H,1H2;1-2H3;1H2;1H3.
What are the key properties of difluoromethane;ethane;fluoromethane;N-phenylmethanimine?
difluoromethane;ethane;fluoromethane;N-phenylmethanimine has a molecular weight of 221.27 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;ethane;fluoromethane;N-phenylmethanimine is sourced from PubChem (CID 91088644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).