Chemical ID: 4116956

c1cc(c2c(c1)OC(O2)(F)F)N
Chemical ID:
4116956
Name [?]:
2,2-difluorobenzo[1,3]dioxol-4-amine
SMILES [?]:
c1cc(c2c(c1)OC(O2)(F)F)N
InChi [?]:
InChI=1/C7H5F2NO2/c8-7(9)11-5-3-1-2-4(10)6(5)12-7/h1-3H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,4,8,10,11,12,7,9/E:(8,9)/rA:12nCCCCCCOCOFFN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s8;s8;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5F2NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.88454
Area:291.656
Solvation:-1.40685
Coulombic:-52.5039
Bond Count [?]
All:13
Single:10
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:173.117
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.67
LogP (Chemaxon):1.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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