Chemical ID: 4231266

c1cc(c(cc1F)F)C(=O)Cn2cncn2
Chemical ID:
4231266
Name [?]:
1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
SMILES [?]:
c1cc(c(cc1F)F)C(=O)Cn2cncn2
InChi [?]:
InChI=1/C10H7F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2
InChi Info:
AuxInfo=1/0/N:1,2,5,11,15,13,6,3,4,9,7,8,14,16,12,10/rA:16nCCCCCCFFCOCNCNCN/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s9;s11;s12;d13;s14;s12d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7F2N3O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:2.71638
Area:370.992
Solvation:-6.55841
Coulombic:-20.7317
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:223.179
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.39
LogP (Chemaxon):0.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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