(E)-3-(3,5-difluorophenyl)prop-2-enoyl chloride

C9H5ClF2O — CID 11390069

IUPAC(E)-3-(3,5-difluorophenyl)prop-2-enoyl chloride
SMILESO=C(Cl)/C=C/c1cc(F)cc(F)c1
InChIInChI=1S/C9H5ClF2O/c10-9(13)2-1-6-3-7(11)5-8(12)4-6/h1-5H/b2-1+
InChIKeyGIBLCXTYLCOCBG-OWOJBTEDSA-N
MW202.59 g/mol
LogP2.74
Rot. Bonds2

About (E)-3-(3,5-difluorophenyl)prop-2-enoyl chloride

(E)-3-(3,5-difluorophenyl)prop-2-enoyl chloride (PubChem CID 11390069) has the molecular formula C9H5ClF2O and a molecular weight of 202.59 g/mol. Its IUPAC name is (E)-3-(3,5-difluorophenyl)prop-2-enoyl chloride.

Molecular Properties

Compound Name(E)-3-(3,5-difluorophenyl)prop-2-enoyl chloride
PubChem CID11390069
Molecular FormulaC9H5ClF2O
Molecular Weight202.59 g/mol
Exact Mass202.00
IUPAC Name(E)-3-(3,5-difluorophenyl)prop-2-enoyl chloride
SMILESO=C(Cl)/C=C/c1cc(F)cc(F)c1
InChIInChI=1S/C9H5ClF2O/c10-9(13)2-1-6-3-7(11)5-8(12)4-6/h1-5H/b2-1+
InChIKeyGIBLCXTYLCOCBG-OWOJBTEDSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.59
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,4,5-trifluorophenyl)prop-2-enoyl chloride
CID 124928298
[2-(3,5-Difluorophenyl)ethenyl](hydroxy)boranyl
CID 69337151
(E)-3-(3,5-difluorophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 139593021
(E)-3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enoyl chloride
CID 57478964
[3-acetyloxy-5-[(E)-3-chloro-3-oxoprop-1-enyl]phenyl] acetate
CID 19793819
(E)-3-(4-chlorophenyl)prop-2-enoyl chloride
CID 11252649
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride
CID 5375564
3-prop-2-enoyloxypropyl (E)-3-(3,5-difluorophenyl)prop-2-enoate
CID 70288420
ethyl (E)-3-(3-chloro-5-fluorophenyl)prop-2-enoate
CID 86611645
ethyl 3-(3-chloro-5-fluorophenyl)prop-2-enoate
CID 91491190
3-(3,5-difluorophenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 67540558
(E)-3-(2,6-difluorophenyl)prop-2-enoyl chloride
CID 11424232

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-difluorophenyl)prop-2-enoyl chloride?
The IUPAC name of (E)-3-(3,5-difluorophenyl)prop-2-enoyl chloride (CID 11390069) is (E)-3-(3,5-difluorophenyl)prop-2-enoyl chloride.
What is the SMILES notation for (E)-3-(3,5-difluorophenyl)prop-2-enoyl chloride?
The canonical SMILES for (E)-3-(3,5-difluorophenyl)prop-2-enoyl chloride is O=C(Cl)/C=C/c1cc(F)cc(F)c1.
What is the InChIKey of (E)-3-(3,5-difluorophenyl)prop-2-enoyl chloride?
The InChIKey is GIBLCXTYLCOCBG-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H5ClF2O/c10-9(13)2-1-6-3-7(11)5-8(12)4-6/h1-5H/b2-1+.
What are the key properties of (E)-3-(3,5-difluorophenyl)prop-2-enoyl chloride?
(E)-3-(3,5-difluorophenyl)prop-2-enoyl chloride has a molecular weight of 202.59 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-difluorophenyl)prop-2-enoyl chloride is sourced from PubChem (CID 11390069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).