methyl 1,2,3,4,4-pentafluorobutyl carbonate

C6H7F5O3 — CID 139344990

IUPACmethyl 1,2,3,4,4-pentafluorobutyl carbonate
SMILESCOC(=O)OC(F)C(F)C(F)C(F)F
InChIInChI=1S/C6H7F5O3/c1-13-6(12)14-5(11)3(8)2(7)4(9)10/h2-5H,1H3
InChIKeyZBHMJTCYRGLKSS-UHFFFAOYSA-N
MW222.11 g/mol
LogP2.01
Rot. Bonds4

About methyl 1,2,3,4,4-pentafluorobutyl carbonate

methyl 1,2,3,4,4-pentafluorobutyl carbonate (PubChem CID 139344990) has the molecular formula C6H7F5O3 and a molecular weight of 222.11 g/mol. Its IUPAC name is methyl 1,2,3,4,4-pentafluorobutyl carbonate.

Molecular Properties

Compound Namemethyl 1,2,3,4,4-pentafluorobutyl carbonate
PubChem CID139344990
Molecular FormulaC6H7F5O3
Molecular Weight222.11 g/mol
Exact Mass222.03
IUPAC Namemethyl 1,2,3,4,4-pentafluorobutyl carbonate
SMILESCOC(=O)OC(F)C(F)C(F)C(F)F
InChIInChI=1S/C6H7F5O3/c1-13-6(12)14-5(11)3(8)2(7)4(9)10/h2-5H,1H3
InChIKeyZBHMJTCYRGLKSS-UHFFFAOYSA-N
XLogP2.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dimethoxymethyl methyl carbonate
CID 139686199
dimethyl carbonate;ethane
CID 160632176
2,4-dimethylpentan-3-yl methyl carbonate
CID 59320466
dimethyl 2-methoxycarbonyloxypropanedioate
CID 88550478
methyl (2R)-2-amino-3-fluoro-4-methylpentanoate
CID 131230035
magnesium;dimethyl carbonate;hydride
CID 173223307
methyl (2S)-3,3-difluoro-2-hydroxypropanoate
CID 178200832
hydroxy methyl carbonate
CID 158464551
1-cyanoethyl methyl carbonate
CID 87981659
methyl 2-carbonofluoridoyloxypropanoate
CID 87672150
1,2,2-trifluoroethyl propanoate
CID 18413632
methyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate
CID 139305686

Frequently Asked Questions

What is the IUPAC name of methyl 1,2,3,4,4-pentafluorobutyl carbonate?
The IUPAC name of methyl 1,2,3,4,4-pentafluorobutyl carbonate (CID 139344990) is methyl 1,2,3,4,4-pentafluorobutyl carbonate.
What is the SMILES notation for methyl 1,2,3,4,4-pentafluorobutyl carbonate?
The canonical SMILES for methyl 1,2,3,4,4-pentafluorobutyl carbonate is COC(=O)OC(F)C(F)C(F)C(F)F.
What is the InChIKey of methyl 1,2,3,4,4-pentafluorobutyl carbonate?
The InChIKey is ZBHMJTCYRGLKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5O3/c1-13-6(12)14-5(11)3(8)2(7)4(9)10/h2-5H,1H3.
What are the key properties of methyl 1,2,3,4,4-pentafluorobutyl carbonate?
methyl 1,2,3,4,4-pentafluorobutyl carbonate has a molecular weight of 222.11 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2,3,4,4-pentafluorobutyl carbonate is sourced from PubChem (CID 139344990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).