N-(4-fluorophenyl)-1-(3-methylthiophen-2-yl)methanimine

C12H10FNS — CID 681268

IUPACN-(4-fluorophenyl)-1-(3-methylthiophen-2-yl)methanimine
SMILESCc1ccsc1/C=N/c1ccc(F)cc1
InChIInChI=1S/C12H10FNS/c1-9-6-7-15-12(9)8-14-11-4-2-10(13)3-5-11/h2-8H,1H3/b14-8+
InChIKeyULCVTIPZJYLPPC-RIYZIHGNSA-N
MW219.28 g/mol
LogP3.95
Rot. Bonds2

About N-(4-fluorophenyl)-1-(3-methylthiophen-2-yl)methanimine

N-(4-fluorophenyl)-1-(3-methylthiophen-2-yl)methanimine (PubChem CID 681268) has the molecular formula C12H10FNS and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(3-methylthiophen-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(3-methylthiophen-2-yl)methanimine
PubChem CID681268
Molecular FormulaC12H10FNS
Molecular Weight219.28 g/mol
Exact Mass219.05
IUPAC NameN-(4-fluorophenyl)-1-(3-methylthiophen-2-yl)methanimine
SMILESCc1ccsc1/C=N/c1ccc(F)cc1
InChIInChI=1S/C12H10FNS/c1-9-6-7-15-12(9)8-14-11-4-2-10(13)3-5-11/h2-8H,1H3/b14-8+
InChIKeyULCVTIPZJYLPPC-RIYZIHGNSA-N
XLogP3.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.95
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 N-(4-fluorophenyl)-1-(3-methylthiophen-2-yl)methanimine?
The IUPAC name of N-(4-fluorophenyl)-1-(3-methylthiophen-2-yl)methanimine (CID 681268) is N-(4-fluorophenyl)-1-(3-methylthiophen-2-yl)methanimine.
What is the SMILES notation for N-(4-fluorophenyl)-1-(3-methylthiophen-2-yl)methanimine?
The canonical SMILES for N-(4-fluorophenyl)-1-(3-methylthiophen-2-yl)methanimine is Cc1ccsc1/C=N/c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-(3-methylthiophen-2-yl)methanimine?
The InChIKey is ULCVTIPZJYLPPC-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H10FNS/c1-9-6-7-15-12(9)8-14-11-4-2-10(13)3-5-11/h2-8H,1H3/b14-8+.
What are the key properties of N-(4-fluorophenyl)-1-(3-methylthiophen-2-yl)methanimine?
N-(4-fluorophenyl)-1-(3-methylthiophen-2-yl)methanimine has a molecular weight of 219.28 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(3-methylthiophen-2-yl)methanimine is sourced from PubChem (CID 681268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).