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Chemical ID: 5134329
Chemical ID:
5134329
Name [?]:
methyl (6-fluoro-1-cyclohex-3-enyl)aminoformate
SMILES [?]:
COC(=O)NC1CC=CCC1F
InChi [?]:
InChI=1/C8H12FNO2/c1-12-8(11)10-7-5-3-2-4-6(7)9/h2-3,6-7H,4-5H2,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,7,11,6,3,12,5,4,2/rA:12cCOCONCCCCCCF/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;s6s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H12FNO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.3193 |
Area: | 329.367 |
Solvation: | -2.91487 |
Coulombic: | -38.1189 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 173.185 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.13 |
LogP (Chemaxon): | 1.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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