N-[4-(trifluoromethoxy)phenyl]methanimine

C8H6F3NO — CID 118183095

IUPACN-[4-(trifluoromethoxy)phenyl]methanimine
SMILESC=Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H6F3NO/c1-12-6-2-4-7(5-3-6)13-8(9,10)11/h2-5H,1H2
InChIKeyOFLKRIAMQKCPNI-UHFFFAOYSA-N
MW189.14 g/mol
LogP2.92
Rot. Bonds2

About N-[4-(trifluoromethoxy)phenyl]methanimine

N-[4-(trifluoromethoxy)phenyl]methanimine (PubChem CID 118183095) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]methanimine.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]methanimine
PubChem CID118183095
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC NameN-[4-(trifluoromethoxy)phenyl]methanimine
SMILESC=Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H6F3NO/c1-12-6-2-4-7(5-3-6)13-8(9,10)11/h2-5H,1H2
InChIKeyOFLKRIAMQKCPNI-UHFFFAOYSA-N
XLogP2.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(methylideneamino)-4-(trifluoromethoxy)aniline
CID 155060711
[4-(trifluoromethoxy)phenyl]phosphane;hydrochloride
CID 171933025
trifluoromethoxybenzene fluoride
CID 158305019
trifluoromethoxybenzene
CID 157402708
1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene
CID 86088132
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
N-fluoro-4-(trifluoromethoxy)aniline
CID 142989818
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
3-[[4-(trifluoromethoxy)phenyl]diazenyl]pentane-2,4-dione
CID 91552652
[4-(trifluoromethoxy)anilino]azanium
CID 140653145

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]methanimine?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]methanimine (CID 118183095) is N-[4-(trifluoromethoxy)phenyl]methanimine.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]methanimine?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]methanimine is C=Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]methanimine?
The InChIKey is OFLKRIAMQKCPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO/c1-12-6-2-4-7(5-3-6)13-8(9,10)11/h2-5H,1H2.
What are the key properties of N-[4-(trifluoromethoxy)phenyl]methanimine?
N-[4-(trifluoromethoxy)phenyl]methanimine has a molecular weight of 189.14 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]methanimine is sourced from PubChem (CID 118183095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).