1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)guanidine

C14H10ClF4N3 — CID 147351082

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)guanidine
SMILESN/C(=N\c1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H10ClF4N3/c15-12-6-5-10(7-11(12)14(17,18)19)22-13(20)21-9-3-1-8(16)2-4-9/h1-7H,(H3,20,21,22)
InChIKeyDFKFVNFYROTOFN-UHFFFAOYSA-N
MW331.70 g/mol
LogP4.56
Rot. Bonds2

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)guanidine

1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)guanidine (PubChem CID 147351082) has the molecular formula C14H10ClF4N3 and a molecular weight of 331.70 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)guanidine.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)guanidine
PubChem CID147351082
Molecular FormulaC14H10ClF4N3
Molecular Weight331.70 g/mol
Exact Mass331.05
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)guanidine
SMILESN/C(=N\c1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H10ClF4N3/c15-12-6-5-10(7-11(12)14(17,18)19)22-13(20)21-9-3-1-8(16)2-4-9/h1-7H,(H3,20,21,22)
InChIKeyDFKFVNFYROTOFN-UHFFFAOYSA-N
XLogP4.56
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.70
LogP ≤ 54.56
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

N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
CID 2084506
1,3-bis[4-chloro-3-(trifluoromethyl)phenyl]thiourea
CID 4763346
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 35564449
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
4-chloro-N-[[4-chloro-3-(trifluoromethyl)phenyl]diazenyl]-3-(trifluoromethyl)aniline
CID 10549082
[amino-[4-chloro-3-(trifluoromethyl)anilino]methylidene]-[4-chloro-3-(trifluoromethyl)phenyl]azanium
CID 21065082
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-sulfanylidenepropanamide
CID 43132915
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide
CID 26438653
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride
CID 23155082
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,5-dihydroxyphenyl)urea
CID 108895420
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 82134049

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)guanidine?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)guanidine (CID 147351082) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)guanidine.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)guanidine?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)guanidine is N/C(=N\c1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)guanidine?
The InChIKey is DFKFVNFYROTOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N3/c15-12-6-5-10(7-11(12)14(17,18)19)22-13(20)21-9-3-1-8(16)2-4-9/h1-7H,(H3,20,21,22).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)guanidine?
1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)guanidine has a molecular weight of 331.70 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)guanidine is sourced from PubChem (CID 147351082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).