benzyl 1,2,2-trifluoroethyl carbonate

C10H9F3O3 — CID 70262642

IUPACbenzyl 1,2,2-trifluoroethyl carbonate
SMILESO=C(OCc1ccccc1)OC(F)C(F)F
InChIInChI=1S/C10H9F3O3/c11-8(12)9(13)16-10(14)15-6-7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKeyRCFZPYXGDBXCBJ-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.90
Rot. Bonds4

About benzyl 1,2,2-trifluoroethyl carbonate

benzyl 1,2,2-trifluoroethyl carbonate (PubChem CID 70262642) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is benzyl 1,2,2-trifluoroethyl carbonate.

Molecular Properties

Compound Namebenzyl 1,2,2-trifluoroethyl carbonate
PubChem CID70262642
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Namebenzyl 1,2,2-trifluoroethyl carbonate
SMILESO=C(OCc1ccccc1)OC(F)C(F)F
InChIInChI=1S/C10H9F3O3/c11-8(12)9(13)16-10(14)15-6-7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKeyRCFZPYXGDBXCBJ-UHFFFAOYSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 1-propan-2-yloxyethyl carbonate
CID 118149586
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
2-phenylmethoxycarbonyloxybutanoic acid
CID 126720889
benzyl 2-(18F)fluoro-3-hydroxypropanoate
CID 153425046
benzyl 1-phenylmethoxycarbonyloxybut-3-en-2-yl carbonate
CID 22891815
dibenzyl 2-(2,2-difluoroethyl)propanedioate
CID 177361519
benzyl 1-thiocyanatoethyl carbonate
CID 14026956
[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] 2-acetyloxypropanoate
CID 126688958
[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 126705764
[(2S)-1-oxo-1-[(2S)-1-oxo-1-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-acetyloxypropanoate
CID 126688929
benzyl 2-hydroxyethyl carbonate
CID 139815197

Frequently Asked Questions

What is the IUPAC name of benzyl 1,2,2-trifluoroethyl carbonate?
The IUPAC name of benzyl 1,2,2-trifluoroethyl carbonate (CID 70262642) is benzyl 1,2,2-trifluoroethyl carbonate.
What is the SMILES notation for benzyl 1,2,2-trifluoroethyl carbonate?
The canonical SMILES for benzyl 1,2,2-trifluoroethyl carbonate is O=C(OCc1ccccc1)OC(F)C(F)F.
What is the InChIKey of benzyl 1,2,2-trifluoroethyl carbonate?
The InChIKey is RCFZPYXGDBXCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c11-8(12)9(13)16-10(14)15-6-7-4-2-1-3-5-7/h1-5,8-9H,6H2.
What are the key properties of benzyl 1,2,2-trifluoroethyl carbonate?
benzyl 1,2,2-trifluoroethyl carbonate has a molecular weight of 234.17 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1,2,2-trifluoroethyl carbonate is sourced from PubChem (CID 70262642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).