(3,5-diaminophenyl)-(2,4,5-trifluorophenyl)methanone

C13H9F3N2O — CID 103304686

IUPAC(3,5-diaminophenyl)-(2,4,5-trifluorophenyl)methanone
SMILESNc1cc(N)cc(C(=O)c2cc(F)c(F)cc2F)c1
InChIInChI=1S/C13H9F3N2O/c14-10-5-12(16)11(15)4-9(10)13(19)6-1-7(17)3-8(18)2-6/h1-5H,17-18H2
InChIKeyDNBJAVOWXNMUPG-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.50
Rot. Bonds2

About (3,5-diaminophenyl)-(2,4,5-trifluorophenyl)methanone

(3,5-diaminophenyl)-(2,4,5-trifluorophenyl)methanone (PubChem CID 103304686) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is (3,5-diaminophenyl)-(2,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(3,5-diaminophenyl)-(2,4,5-trifluorophenyl)methanone
PubChem CID103304686
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name(3,5-diaminophenyl)-(2,4,5-trifluorophenyl)methanone
SMILESNc1cc(N)cc(C(=O)c2cc(F)c(F)cc2F)c1
InChIInChI=1S/C13H9F3N2O/c14-10-5-12(16)11(15)4-9(10)13(19)6-1-7(17)3-8(18)2-6/h1-5H,17-18H2
InChIKeyDNBJAVOWXNMUPG-UHFFFAOYSA-N
XLogP2.50
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-4,5-difluorophenyl)-(3,5-diaminophenyl)methanone
CID 107477770
(3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 113254913
(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693773
(3-amino-5-bromophenyl)-(2-fluorophenyl)methanone
CID 116597103
(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693772
2-amino-4,5-difluorobenzamide
CID 16640510
(2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301189
(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 107475698
(4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477758
(3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103304702
(3-aminophenyl)-(2-fluoro-5-hydroxyphenyl)methanone
CID 10585593
(3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxyphenyl]methanone
CID 150288307

Frequently Asked Questions

What is the IUPAC name of (3,5-diaminophenyl)-(2,4,5-trifluorophenyl)methanone?
The IUPAC name of (3,5-diaminophenyl)-(2,4,5-trifluorophenyl)methanone (CID 103304686) is (3,5-diaminophenyl)-(2,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (3,5-diaminophenyl)-(2,4,5-trifluorophenyl)methanone?
The canonical SMILES for (3,5-diaminophenyl)-(2,4,5-trifluorophenyl)methanone is Nc1cc(N)cc(C(=O)c2cc(F)c(F)cc2F)c1.
What is the InChIKey of (3,5-diaminophenyl)-(2,4,5-trifluorophenyl)methanone?
The InChIKey is DNBJAVOWXNMUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c14-10-5-12(16)11(15)4-9(10)13(19)6-1-7(17)3-8(18)2-6/h1-5H,17-18H2.
What are the key properties of (3,5-diaminophenyl)-(2,4,5-trifluorophenyl)methanone?
(3,5-diaminophenyl)-(2,4,5-trifluorophenyl)methanone has a molecular weight of 266.22 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diaminophenyl)-(2,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 103304686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).