Chemical ID: 4740427

c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NCC2CC2
Chemical ID:
4740427
Name [?]:
N-(cyclopropylmethyl)-2-nitro-4-(trifluoromethyl)aniline
SMILES [?]:
c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NCC2CC2
InChi [?]:
InChI=1/C11H11F3N2O2/c12-11(13,14)8-3-4-9(10(5-8)16(17)18)15-6-7-1-2-7/h3-5,7,15H,1-2,6H2
InChi Info:
AuxInfo=1/0/N:17,18,1,2,5,15,16,6,3,4,7,8,9,10,14,11,12,13/E:(1,2)(12,13,14)(17,18)/CRV:16.5/rA:18nCCCCCCCFFFN+OO-NCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s4;d11;s11;s3;s14;s15;s16;s16s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11F3N2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:3.33166
Area:420.282
Solvation:-7.1754
Coulombic:-42.4352
Bond Count [?]
All:19
Single:15
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:260.213
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.74
LogP (Chemaxon):3.82

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Descriptor Annotations

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