3-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2-fluoroprop-2-enoate

C10H3Cl2F4O2- — CID 154177256

IUPAC3-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2-fluoroprop-2-enoate
SMILESO=C([O-])C(F)=Cc1c(Cl)ccc(C(F)(F)F)c1Cl
InChIInChI=1S/C10H4Cl2F4O2/c11-6-2-1-5(10(14,15)16)8(12)4(6)3-7(13)9(17)18/h1-3H,(H,17,18)/p-1
InChIKeyCFNRDRMLKMVRFM-UHFFFAOYSA-M
MW302.03 g/mol
LogP3.07
Rot. Bonds2

About 3-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2-fluoroprop-2-enoate

3-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2-fluoroprop-2-enoate (PubChem CID 154177256) has the molecular formula C10H3Cl2F4O2- and a molecular weight of 302.03 g/mol. Its IUPAC name is 3-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2-fluoroprop-2-enoate.

Molecular Properties

Compound Name3-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2-fluoroprop-2-enoate
PubChem CID154177256
Molecular FormulaC10H3Cl2F4O2-
Molecular Weight302.03 g/mol
Exact Mass300.95
IUPAC Name3-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2-fluoroprop-2-enoate
SMILESO=C([O-])C(F)=Cc1c(Cl)ccc(C(F)(F)F)c1Cl
InChIInChI=1S/C10H4Cl2F4O2/c11-6-2-1-5(10(14,15)16)8(12)4(6)3-7(13)9(17)18/h1-3H,(H,17,18)/p-1
InChIKeyCFNRDRMLKMVRFM-UHFFFAOYSA-M
XLogP3.07
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.03
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-fluoro-3-(2,3,6-trichlorophenyl)prop-2-enoic acid
CID 79726038
[2,6-dichloro-3-(trifluoromethyl)phenyl] 2-fluoroprop-2-enoate
CID 54181022
6-chloro-2,3-bis(trifluoromethyl)benzaldehyde
CID 119021847
2-chloro-6-fluoro-3-(trifluoromethyl)phenol
CID 59010056
1,2-dichloro-3-nitro-4-(trifluoromethyl)benzene
CID 15103062
3-chloro-2-fluoro-4-(trifluoromethyl)benzoic acid
CID 86277703
2,3-dichloro-6-(trifluoromethyl)aniline
CID 21257594
1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene
CID 14745915
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enoic acid
CID 83661379
2-cyano-N-[2,6-dichloro-3-(trifluoromethyl)phenyl]acetamide
CID 168521011
2-[2-chloro-3-(trifluoromethyl)phenyl]-2,2-difluoroacetic acid
CID 171591321
methyl 3-chloro-6-[2-chloro-3-ethenyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 142574576

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2-fluoroprop-2-enoate?
The IUPAC name of 3-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2-fluoroprop-2-enoate (CID 154177256) is 3-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2-fluoroprop-2-enoate.
What is the SMILES notation for 3-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2-fluoroprop-2-enoate?
The canonical SMILES for 3-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2-fluoroprop-2-enoate is O=C([O-])C(F)=Cc1c(Cl)ccc(C(F)(F)F)c1Cl.
What is the InChIKey of 3-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2-fluoroprop-2-enoate?
The InChIKey is CFNRDRMLKMVRFM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H4Cl2F4O2/c11-6-2-1-5(10(14,15)16)8(12)4(6)3-7(13)9(17)18/h1-3H,(H,17,18)/p-1.
What are the key properties of 3-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2-fluoroprop-2-enoate?
3-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2-fluoroprop-2-enoate has a molecular weight of 302.03 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2-fluoroprop-2-enoate is sourced from PubChem (CID 154177256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).