[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine

C10H8F3N — CID 102396811

IUPAC[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine
SMILES[H]/N=C/c1ccccc1C(=C)C(F)(F)F
InChIInChI=1S/C10H8F3N/c1-7(10(11,12)13)9-5-3-2-4-8(9)6-14/h2-6,14H,1H2/b14-6+
InChIKeyGQFCDBKICWUFHY-MKMNVTDBSA-N
MW199.18 g/mol
LogP3.26
Rot. Bonds2

About [2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine

[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine (PubChem CID 102396811) has the molecular formula C10H8F3N and a molecular weight of 199.18 g/mol. Its IUPAC name is [2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine.

Molecular Properties

Compound Name[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine
PubChem CID102396811
Molecular FormulaC10H8F3N
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine
SMILES[H]/N=C/c1ccccc1C(=C)C(F)(F)F
InChIInChI=1S/C10H8F3N/c1-7(10(11,12)13)9-5-3-2-4-8(9)6-14/h2-6,14H,1H2/b14-6+
InChIKeyGQFCDBKICWUFHY-MKMNVTDBSA-N
XLogP3.26
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methanimidoylbenzamide
CID 123272130
(2-iodophenyl)methanimine
CID 91565501
N-(2-methanimidoylphenyl)hydroxylamine
CID 143516633
1,3-bis(3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 150115521
2-[2-[2-[(2-methanimidoylbenzoyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 139516888
N-tert-butyl-2-methanimidoylaniline
CID 170341484
(2-methylsulfanylphenyl)methanimine
CID 88561931
(2-ethylphenyl)methanimine
CID 58827978
methanethiol;2-methanimidoyl-6-phenylphenol
CID 142577801
1-butoxy-2-(3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 162347252
ethane;ethene;1-(2-ethenylphenyl)-2,2,2-trifluoroethanone
CID 144759279
4-fluoro-2-(3,3,3-trifluoroprop-1-en-2-yl)benzaldehyde
CID 130564906

Frequently Asked Questions

What is the IUPAC name of [2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine?
The IUPAC name of [2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine (CID 102396811) is [2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine.
What is the SMILES notation for [2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine?
The canonical SMILES for [2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine is [H]/N=C/c1ccccc1C(=C)C(F)(F)F.
What is the InChIKey of [2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine?
The InChIKey is GQFCDBKICWUFHY-MKMNVTDBSA-N. The full InChI is InChI=1S/C10H8F3N/c1-7(10(11,12)13)9-5-3-2-4-8(9)6-14/h2-6,14H,1H2/b14-6+.
What are the key properties of [2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine?
[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine has a molecular weight of 199.18 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine is sourced from PubChem (CID 102396811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).