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Chemical ID: 6915028
Chemical ID:
6915028
Name [?]:
2,2-difluoro-N-phenethyl-acetamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)C(F)F
InChi [?]:
InChI=1/C10H11F2NO/c11-9(12)10(14)13-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,8,4,12,10,13,14,9,11/E:(2,3)(4,5)(11,12)/rA:14nCCCCCCCCNCOCFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11F2NO |
All Atoms: | 25 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.53036 |
Area: | 370.618 |
Solvation: | -3.7351 |
Coulombic: | -33.0536 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 199.197 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.96 |
LogP (Chemaxon): | 1.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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