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Chemical ID: 4114924
Chemical ID:
4114924
Name [?]:
2-fluoro-4-(trifluoromethyl)benzaldehyde
SMILES [?]:
c1cc(c(cc1C(F)(F)F)F)C=O
InChi [?]:
InChI=1/C8H4F4O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-4H
InChi Info:
AuxInfo=1/0/N:2,1,5,12,3,6,4,7,11,8,9,10,13/E:(10,11,12)/rA:13nCCCCCCCFFFFCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s4;s3;d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H4F4O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.00372 |
Area: | 305.914 |
Solvation: | -4.64412 |
Coulombic: | -27.3909 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 192.11 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.8 |
LogP (Chemaxon): | 2.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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