2-(4-ethenylphenyl)ethyl 2,2-difluoroacetate

C12H12F2O2 — CID 154622094

IUPAC2-(4-ethenylphenyl)ethyl 2,2-difluoroacetate
SMILESC=Cc1ccc(CCOC(=O)C(F)F)cc1
InChIInChI=1S/C12H12F2O2/c1-2-9-3-5-10(6-4-9)7-8-16-12(15)11(13)14/h2-6,11H,1,7-8H2
InChIKeyCTIDNZMDXLVPLD-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.68
Rot. Bonds5

About 2-(4-ethenylphenyl)ethyl 2,2-difluoroacetate

2-(4-ethenylphenyl)ethyl 2,2-difluoroacetate (PubChem CID 154622094) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is 2-(4-ethenylphenyl)ethyl 2,2-difluoroacetate.

Molecular Properties

Compound Name2-(4-ethenylphenyl)ethyl 2,2-difluoroacetate
PubChem CID154622094
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name2-(4-ethenylphenyl)ethyl 2,2-difluoroacetate
SMILESC=Cc1ccc(CCOC(=O)C(F)F)cc1
InChIInChI=1S/C12H12F2O2/c1-2-9-3-5-10(6-4-9)7-8-16-12(15)11(13)14/h2-6,11H,1,7-8H2
InChIKeyCTIDNZMDXLVPLD-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethenylphenyl)ethyl prop-2-enoate
CID 163299720
3-(4-ethenylphenyl)propyl prop-2-enoate
CID 163299713
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CID 139984757
1-(2-ethenoxyethyl)-4-ethenylbenzene
CID 23031073
1-ethenyl-4-(2-methoxyethyl)benzene
CID 66598261
2-phenylethyl N-[2-(4-ethenylphenyl)propan-2-yl]carbamate
CID 59518640
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
1-ethenyl-4-[2-(2-iodoethoxy)ethyl]benzene
CID 155076269
1,4-bis(ethenyl)benzene;urea
CID 18766675
bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate
CID 70936130
1-(4-ethenylphenyl)pentan-3-one
CID 20804902
2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate
CID 163078675

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylphenyl)ethyl 2,2-difluoroacetate?
The IUPAC name of 2-(4-ethenylphenyl)ethyl 2,2-difluoroacetate (CID 154622094) is 2-(4-ethenylphenyl)ethyl 2,2-difluoroacetate.
What is the SMILES notation for 2-(4-ethenylphenyl)ethyl 2,2-difluoroacetate?
The canonical SMILES for 2-(4-ethenylphenyl)ethyl 2,2-difluoroacetate is C=Cc1ccc(CCOC(=O)C(F)F)cc1.
What is the InChIKey of 2-(4-ethenylphenyl)ethyl 2,2-difluoroacetate?
The InChIKey is CTIDNZMDXLVPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c1-2-9-3-5-10(6-4-9)7-8-16-12(15)11(13)14/h2-6,11H,1,7-8H2.
What are the key properties of 2-(4-ethenylphenyl)ethyl 2,2-difluoroacetate?
2-(4-ethenylphenyl)ethyl 2,2-difluoroacetate has a molecular weight of 226.22 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylphenyl)ethyl 2,2-difluoroacetate is sourced from PubChem (CID 154622094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).