Chemical ID: 5175043

c1cc(c(cc1C=O)F)N2CCCC2
Chemical ID:
5175043
Name [?]:
3-fluoro-4-pyrrolidin-1-yl-benzaldehyde
SMILES [?]:
c1cc(c(cc1C=O)F)N2CCCC2
InChi [?]:
InChI=1/C11H12FNO/c12-10-7-9(8-14)3-4-11(10)13-5-1-2-6-13/h3-4,7-8H,1-2,5-6H2
InChi Info:
AuxInfo=1/0/N:12,13,1,2,11,14,5,7,6,4,3,9,10,8/E:(1,2)(5,6)/rA:14nCCCCCCCOFNCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s4;s3;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12FNO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.07079
Area:351.725
Solvation:-3.72233
Coulombic:-17.0341
Bond Count [?]
All:15
Single:11
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:193.218
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.59
LogP (Chemaxon):2.45

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Experimental Annotations

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Descriptor Annotations

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