(3,5-difluorophenyl) prop-2-enyl carbonate

C10H8F2O3 — CID 91691289

IUPAC(3,5-difluorophenyl) prop-2-enyl carbonate
SMILESC=CCOC(=O)Oc1cc(F)cc(F)c1
InChIInChI=1S/C10H8F2O3/c1-2-3-14-10(13)15-9-5-7(11)4-8(12)6-9/h2,4-6H,1,3H2
InChIKeySJMUAEDTGGWNEF-UHFFFAOYSA-N
MW214.17 g/mol
LogP2.67
Rot. Bonds3

About (3,5-difluorophenyl) prop-2-enyl carbonate

(3,5-difluorophenyl) prop-2-enyl carbonate (PubChem CID 91691289) has the molecular formula C10H8F2O3 and a molecular weight of 214.17 g/mol. Its IUPAC name is (3,5-difluorophenyl) prop-2-enyl carbonate.

Molecular Properties

Compound Name(3,5-difluorophenyl) prop-2-enyl carbonate
PubChem CID91691289
Molecular FormulaC10H8F2O3
Molecular Weight214.17 g/mol
Exact Mass214.04
IUPAC Name(3,5-difluorophenyl) prop-2-enyl carbonate
SMILESC=CCOC(=O)Oc1cc(F)cc(F)c1
InChIInChI=1S/C10H8F2O3/c1-2-3-14-10(13)15-9-5-7(11)4-8(12)6-9/h2,4-6H,1,3H2
InChIKeySJMUAEDTGGWNEF-UHFFFAOYSA-N
XLogP2.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,5-difluorophenyl) 2-methylpropyl carbonate
CID 67161652
(3-hydroxy-5-methoxyphenyl) prop-2-enyl carbonate
CID 15162806
[4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate
CID 66614557
bis(prop-2-enyl) carbonate;ethene
CID 87465968
(3,5-difluorophenyl) 2-methylidenebutanoate
CID 174922131
4-O-(3,5-difluorophenyl) 1-O-propyl (E)-but-2-enedioate
CID 91717004
(3,5-difluorophenyl) 2-hydroxypropanoate
CID 117051136
benzenethiol;phenyl prop-2-enyl carbonate;prop-2-enyl carbonochloridate
CID 158100831
benzene-1,2-diol;bis(prop-2-enyl) carbonate
CID 23056283
(2,6-diiodo-4-isocyanophenyl) prop-2-enyl carbonate
CID 162694699
2-(prop-2-enoxycarbonylamino)-2-(4-prop-2-enoxycarbonyloxyphenyl)acetic acid
CID 15505909
4-(3,5-difluorophenoxy)but-2-enoic acid
CID 76949345

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl) prop-2-enyl carbonate?
The IUPAC name of (3,5-difluorophenyl) prop-2-enyl carbonate (CID 91691289) is (3,5-difluorophenyl) prop-2-enyl carbonate.
What is the SMILES notation for (3,5-difluorophenyl) prop-2-enyl carbonate?
The canonical SMILES for (3,5-difluorophenyl) prop-2-enyl carbonate is C=CCOC(=O)Oc1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenyl) prop-2-enyl carbonate?
The InChIKey is SJMUAEDTGGWNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O3/c1-2-3-14-10(13)15-9-5-7(11)4-8(12)6-9/h2,4-6H,1,3H2.
What are the key properties of (3,5-difluorophenyl) prop-2-enyl carbonate?
(3,5-difluorophenyl) prop-2-enyl carbonate has a molecular weight of 214.17 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl) prop-2-enyl carbonate is sourced from PubChem (CID 91691289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).