CID 53474983

C15H10F3N2 — CID 53474983

IUPAC—
SMILESFC(F)(F)c1ccc(N/N=C\C#C[C]2[CH][CH][CH][CH]2)cc1
InChIInChI=1S/C15H10F3N2/c16-15(17,18)13-7-9-14(10-8-13)20-19-11-3-6-12-4-1-2-5-12/h1-2,4-5,7-11,20H/b19-11-
InChIKeyAAKUSLHYWXPDIU-ODLFYWEKSA-N
MW275.25 g/mol
LogP3.51
Rot. Bonds2

About CID 53474983

CID 53474983 (PubChem CID 53474983) has the molecular formula C15H10F3N2 and a molecular weight of 275.25 g/mol.

Molecular Properties

Compound NameCID 53474983
PubChem CID53474983
Molecular FormulaC15H10F3N2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC Name—
SMILESFC(F)(F)c1ccc(N/N=C\C#C[C]2[CH][CH][CH][CH]2)cc1
InChIInChI=1S/C15H10F3N2/c16-15(17,18)13-7-9-14(10-8-13)20-19-11-3-6-12-4-1-2-5-12/h1-2,4-5,7-11,20H/b19-11-
InChIKeyAAKUSLHYWXPDIU-ODLFYWEKSA-N
XLogP3.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

CID 53475265
CID 53475265
N-[(Z)-3-(4-methoxyphenyl)prop-2-ynylideneamino]-4-(trifluoromethyl)aniline
CID 53474900
N-[(4-bromothiophen-2-yl)methylideneamino]-4-(trifluoromethyl)aniline
CID 5037826
4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5115489
4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110841790
N-[(4-ethylphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841973
N-(naphthalen-1-ylmethylideneamino)-4-(trifluoromethyl)aniline
CID 110842073
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline
CID 164880427
1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 86099970
3-[4-(trifluoromethyl)anilino]prop-2-enenitrile
CID 151510157
N-[(3,5-dichloro-4-propoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841966

Frequently Asked Questions

What is the IUPAC name of CID 53474983?
The IUPAC name of CID 53474983 (CID 53474983) is not available.
What is the SMILES notation for CID 53474983?
The canonical SMILES for CID 53474983 is FC(F)(F)c1ccc(N/N=C\C#C[C]2[CH][CH][CH][CH]2)cc1.
What is the InChIKey of CID 53474983?
The InChIKey is AAKUSLHYWXPDIU-ODLFYWEKSA-N. The full InChI is InChI=1S/C15H10F3N2/c16-15(17,18)13-7-9-14(10-8-13)20-19-11-3-6-12-4-1-2-5-12/h1-2,4-5,7-11,20H/b19-11-.
What are the key properties of CID 53474983?
CID 53474983 has a molecular weight of 275.25 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 53474983 is sourced from PubChem (CID 53474983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).