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Chemical ID: 4698323
Chemical ID:
4698323
Name [?]:
1-[2-(4-fluorophenyl)cyclopropyl]ethanone
SMILES [?]:
CC(=O)C1CC1c2ccc(cc2)F
InChi [?]:
InChI=1/C11H11FO/c1-7(13)10-6-11(10)8-2-4-9(12)5-3-8/h2-5,10-11H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,12,9,11,5,2,7,10,4,6,13,3/E:(2,3)(4,5)/rA:13cCCOCCCCCCCCCF/rB:s1;d2;s2;s4;s4s5;s6;s7;d8;s9;d10;d7s11;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11FO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.66248 |
Area: | 330.57 |
Solvation: | -2.60178 |
Coulombic: | -11.4905 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 178.203 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.93 |
LogP (Chemaxon): | 2.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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