4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide

C15H10F6N2 — CID 34178690

IUPAC4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H10F6N2/c16-14(17,18)11-5-10(6-12(7-11)15(19,20)21)8-1-3-9(4-2-8)13(22)23/h1-7H,(H3,22,23)
InChIKeyZKFKMIMWRGYSPM-UHFFFAOYSA-N
MW332.25 g/mol
LogP4.68
Rot. Bonds2

About 4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide

4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide (PubChem CID 34178690) has the molecular formula C15H10F6N2 and a molecular weight of 332.25 g/mol. Its IUPAC name is 4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide
PubChem CID34178690
Molecular FormulaC15H10F6N2
Molecular Weight332.25 g/mol
Exact Mass332.07
IUPAC Name4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H10F6N2/c16-14(17,18)11-5-10(6-12(7-11)15(19,20)21)8-1-3-9(4-2-8)13(22)23/h1-7H,(H3,22,23)
InChIKeyZKFKMIMWRGYSPM-UHFFFAOYSA-N
XLogP4.68
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
acetic acid;4-(trifluoromethyl)benzenecarboximidamide
CID 67344222
4-(3,4-difluorophenyl)benzenecarboximidamide
CID 15114042
3-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 2730243
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
ethane;4-phenylbenzenecarboximidamide
CID 91221015
4-amino-3-(trifluoromethyl)benzenecarboximidamide
CID 130743439
(E)-3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]but-2-en-1-ol
CID 20765801
3-(4-carboxyphenyl)-5-(trifluoromethyl)benzoic acid
CID 53226200
4-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindol-1-yl]sulfonyl]benzenecarboximidamide
CID 162555314
2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293746
4-fluorobenzenecarboximidamide;hydroiodide
CID 68780775

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide?
The IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide (CID 34178690) is 4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide.
What is the SMILES notation for 4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide?
The canonical SMILES for 4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide?
The InChIKey is ZKFKMIMWRGYSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6N2/c16-14(17,18)11-5-10(6-12(7-11)15(19,20)21)8-1-3-9(4-2-8)13(22)23/h1-7H,(H3,22,23).
What are the key properties of 4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide?
4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide has a molecular weight of 332.25 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide is sourced from PubChem (CID 34178690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).