difluoromethyl 3-phenylprop-2-enoate

C10H8F2O2 — CID 175215356

IUPACdifluoromethyl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OC(F)F
InChIInChI=1S/C10H8F2O2/c11-10(12)14-9(13)7-6-8-4-2-1-3-5-8/h1-7,10H
InChIKeySIALIEPDLZYYSM-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.47
Rot. Bonds3

About difluoromethyl 3-phenylprop-2-enoate

difluoromethyl 3-phenylprop-2-enoate (PubChem CID 175215356) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is difluoromethyl 3-phenylprop-2-enoate.

Molecular Properties

Compound Namedifluoromethyl 3-phenylprop-2-enoate
PubChem CID175215356
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Namedifluoromethyl 3-phenylprop-2-enoate
SMILESO=C(C=Cc1ccccc1)OC(F)F
InChIInChI=1S/C10H8F2O2/c11-10(12)14-9(13)7-6-8-4-2-1-3-5-8/h1-7,10H
InChIKeySIALIEPDLZYYSM-UHFFFAOYSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.47
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

diaminomethyl 3-phenylprop-2-enoate
CID 59346009
3-methylbutan-2-yl (E)-3-phenylprop-2-enoate
CID 166681148
dimethyl (2R,3R)-2,3-bis[[(E)-3-phenylprop-2-enoyl]oxy]butanedioate
CID 10343064
1,2-diaminoethyl 3-phenylprop-2-enoate
CID 151604287
1-chloropropyl (E)-3-phenylprop-2-enoate
CID 19931493
propan-2-yl 3-[(E)-3-phenylprop-2-enoyl]oxybutanoate
CID 69304804
lanthanum;(E)-3-phenylprop-2-eneperoxoic acid
CID 122589716
amino 3-phenylprop-2-enoate
CID 67189797
1-methoxypropan-2-yl (E)-3-phenylprop-2-enoate
CID 175028652
[(1R)-2-oxo-1,2-diphenylethyl] (E)-3-phenylprop-2-enoate
CID 776025
1-phenylethyl 3-phenylprop-2-enoate;bis(3-phenylprop-2-enoic acid)
CID 174981518
2-phenylethenyl 3-phenylprop-2-enoate
CID 56982570

Frequently Asked Questions

What is the IUPAC name of difluoromethyl 3-phenylprop-2-enoate?
The IUPAC name of difluoromethyl 3-phenylprop-2-enoate (CID 175215356) is difluoromethyl 3-phenylprop-2-enoate.
What is the SMILES notation for difluoromethyl 3-phenylprop-2-enoate?
The canonical SMILES for difluoromethyl 3-phenylprop-2-enoate is O=C(C=Cc1ccccc1)OC(F)F.
What is the InChIKey of difluoromethyl 3-phenylprop-2-enoate?
The InChIKey is SIALIEPDLZYYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O2/c11-10(12)14-9(13)7-6-8-4-2-1-3-5-8/h1-7,10H.
What are the key properties of difluoromethyl 3-phenylprop-2-enoate?
difluoromethyl 3-phenylprop-2-enoate has a molecular weight of 198.17 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl 3-phenylprop-2-enoate is sourced from PubChem (CID 175215356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).