Chemical ID: 4705397

C1CN=C(C=CN1)C(F)(F)F
Chemical ID:
4705397
Name [?]:
5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
SMILES [?]:
C1CN=C(C=CN1)C(F)(F)F
InChi [?]:
InChI=1/C6H7F3N2/c7-6(8,9)5-1-2-10-3-4-11-5/h1-2,10H,3-4H2
InChi Info:
AuxInfo=1/0/N:5,6,1,2,4,8,9,10,11,7,3/E:(7,8,9)/rA:11nCCNCCCNCFFF/rB:s1;s2;d3;s4;d5;s1s6;s4;s8;s8;s8;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H7F3N2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.07079
Area:277.29
Solvation:-1.86145
Coulombic:-36.8633
Bond Count [?]
All:11
Single:9
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:164.128
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.85
LogP (Chemaxon):1.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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