Chemical ID: 5134329

COC(=O)NC1CC=CCC1F
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

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Experimental Annotations

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Descriptor Annotations

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