Chemical ID: 4118657

COC(c1ccccc1)(C(=O)Cl)C(F)(F)F
Chemical ID:
4118657
Name [?]:
3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl chloride
SMILES [?]:
COC(c1ccccc1)(C(=O)Cl)C(F)(F)F
InChi [?]:
InChI=1/C10H8ClF3O2/c1-16-9(8(11)15,10(12,13)14)7-5-3-2-4-6-7/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,5,9,4,10,3,13,12,14,15,16,11,2/E:(3,4)(5,6)(12,13,14)/rA:16cCOCCCCCCCCOClCFFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s3;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8ClF3O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.23204
Area:363.437
Solvation:-1.85389
Coulombic:-40.7867
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:252.617
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.15
LogP (Chemaxon):2.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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