2,2-difluorobutyl hydrogen carbonate

C5H8F2O3 — CID 54573614

IUPAC2,2-difluorobutyl hydrogen carbonate
SMILESCCC(F)(F)COC(=O)O
InChIInChI=1S/C5H8F2O3/c1-2-5(6,7)3-10-4(8)9/h2-3H2,1H3,(H,8,9)
InChIKeyZZAQDAFNDLRFTK-UHFFFAOYSA-N
MW154.11 g/mol
LogP1.73
Rot. Bonds3

About 2,2-difluorobutyl hydrogen carbonate

2,2-difluorobutyl hydrogen carbonate (PubChem CID 54573614) has the molecular formula C5H8F2O3 and a molecular weight of 154.11 g/mol. Its IUPAC name is 2,2-difluorobutyl hydrogen carbonate.

Molecular Properties

Compound Name2,2-difluorobutyl hydrogen carbonate
PubChem CID54573614
Molecular FormulaC5H8F2O3
Molecular Weight154.11 g/mol
Exact Mass154.04
IUPAC Name2,2-difluorobutyl hydrogen carbonate
SMILESCCC(F)(F)COC(=O)O
InChIInChI=1S/C5H8F2O3/c1-2-5(6,7)3-10-4(8)9/h2-3H2,1H3,(H,8,9)
InChIKeyZZAQDAFNDLRFTK-UHFFFAOYSA-N
XLogP1.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.11
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Propyl 2,2,2-trifluoroethyl carbonate
CID 85868871
2,2,3,3-Tetrafluorobutyl carbonate
CID 53437010
Butyl hydrogen carbonate
CID 18678376
2,2-Difluoroethyl n-propyl carbonate
CID 15985038
Butyl 2,2-difluoroethyl carbonate
CID 15986042
2,2,3,3-Tetrafluoropropyl hydrogen carbonate
CID 20308788
Butyl trifluoromethyl carbonate
CID 21263530
1,2,3,3-Tetrafluoropropyl hydrogen carbonate
CID 21435693
2,3,3-Trifluoropropyl hydrogen carbonate
CID 22169202
Butyl 3,3,3-trifluoropropyl carbonate
CID 22257382
Butyl 2,2,2-trifluoroethyl carbonate
CID 22257383
1,1,1-Trifluorobutan-2-yl hydrogen carbonate
CID 23111929

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorobutyl hydrogen carbonate?
The IUPAC name of 2,2-difluorobutyl hydrogen carbonate (CID 54573614) is 2,2-difluorobutyl hydrogen carbonate.
What is the SMILES notation for 2,2-difluorobutyl hydrogen carbonate?
The canonical SMILES for 2,2-difluorobutyl hydrogen carbonate is CCC(F)(F)COC(=O)O.
What is the InChIKey of 2,2-difluorobutyl hydrogen carbonate?
The InChIKey is ZZAQDAFNDLRFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O3/c1-2-5(6,7)3-10-4(8)9/h2-3H2,1H3,(H,8,9).
What are the key properties of 2,2-difluorobutyl hydrogen carbonate?
2,2-difluorobutyl hydrogen carbonate has a molecular weight of 154.11 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorobutyl hydrogen carbonate is sourced from PubChem (CID 54573614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).