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Chemical ID: 6358039
Chemical ID:
6358039
Name [?]:
N-(3,4-difluorophenyl)butanamide
SMILES [?]:
CCCC(=O)Nc1ccc(c(c1)F)F
InChi [?]:
InChI=1/C10H11F2NO/c1-2-3-10(14)13-7-4-5-8(11)9(12)6-7/h4-6H,2-3H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,3,8,9,12,7,10,11,4,14,13,6,5/rA:14nCCCCONCCCCCCFF/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11F2NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.5524 |
Area: | 357.831 |
Solvation: | -3.39336 |
Coulombic: | -27.1471 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 199.197 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.42 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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