Chemical ID: 4060818

CCCCN(C)C(=O)Nc1cc(ccc1F)F
Chemical ID:
4060818
Name [?]:
1-butyl-3-(2,5-difluorophenyl)-1-methyl-urea
SMILES [?]:
CCCCN(C)C(=O)Nc1cc(ccc1F)F
InChi [?]:
InChI=1/C12H16F2N2O/c1-3-4-7-16(2)12(17)15-11-8-9(13)5-6-10(11)14/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,6,2,3,13,14,4,11,12,15,10,7,17,16,9,5,8/rA:17nCCCCNCCONCCCCCCFF/rB:s1;s2;s3;s4;s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s12;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16F2N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.66711
Area:421.875
Solvation:-2.87977
Coulombic:-38.0346
Bond Count [?]
All:17
Single:13
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:242.265
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.73
LogP (Chemaxon):2.43

Name Annotations

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Descriptor Annotations

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