Chemical ID: 4506178

CN1CCCN(CC1)Cc2cc(ccc2F)F
Chemical ID:
4506178
Name [?]:
1-[(2,5-difluorophenyl)methyl]-4-methyl-1,4-diazepane
SMILES [?]:
CN1CCCN(CC1)Cc2cc(ccc2F)F
InChi [?]:
InChI=1/C13H18F2N2/c1-16-5-2-6-17(8-7-16)10-11-9-12(14)3-4-13(11)15/h3-4,9H,2,5-8,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,13,14,3,5,8,7,11,9,10,12,15,17,16,2,6/rA:17cCNCCCNCCCCCCCCCFF/rB:s1;s2;s3;s4;s5;s6;s2s7;s6;s9;s10;d11;s12;d13;d10s14;s15;s12;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18F2N2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:6.64537
Area:397.258
Solvation:-3.28608
Coulombic:-17.0373
Bond Count [?]
All:18
Single:15
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:240.292
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.1
LogP (Chemaxon):2.07

Name Annotations

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Descriptor Annotations

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