Chemical ID: 4116724

c1cc(ccc1C(F)(F)F)N
Chemical ID:
4116724
Name [?]:
4-(trifluoromethyl)aniline
SMILES [?]:
c1cc(ccc1C(F)(F)F)N
InChi [?]:
InChI=1/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,6,3,7,8,9,10,11/E:(1,2)(3,4)(8,9,10)/rA:11nCCCCCCCFFFN/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s3;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6F3N
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.62495
Area:283.265
Solvation:-1.45668
Coulombic:-35.9937
Bond Count [?]
All:11
Single:8
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:161.124
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.13
LogP (Chemaxon):2.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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