carbonic acid;1,3-difluorobutane

C6H12F2O6 — CID 87178365

IUPACcarbonic acid;1,3-difluorobutane
SMILESCC(F)CCF.O=C(O)O.O=C(O)O
InChIInChI=1S/C4H8F2.2CH2O3/c1-4(6)2-3-5;2*2-1(3)4/h4H,2-3H2,1H3;2*(H2,2,3,4)
InChIKeyIJKQLIMBJYMYAK-UHFFFAOYSA-N
MW218.15 g/mol
LogP2.15
Rot. Bonds2

About carbonic acid;1,3-difluorobutane

carbonic acid;1,3-difluorobutane (PubChem CID 87178365) has the molecular formula C6H12F2O6 and a molecular weight of 218.15 g/mol. Its IUPAC name is carbonic acid;1,3-difluorobutane.

Molecular Properties

Compound Namecarbonic acid;1,3-difluorobutane
PubChem CID87178365
Molecular FormulaC6H12F2O6
Molecular Weight218.15 g/mol
Exact Mass218.06
IUPAC Namecarbonic acid;1,3-difluorobutane
SMILESCC(F)CCF.O=C(O)O.O=C(O)O
InChIInChI=1S/C4H8F2.2CH2O3/c1-4(6)2-3-5;2*2-1(3)4/h4H,2-3H2,1H3;2*(H2,2,3,4)
InChIKeyIJKQLIMBJYMYAK-UHFFFAOYSA-N
XLogP2.15
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze carbonic acid;1,3-difluorobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1,3-difluorobutane?
The IUPAC name of carbonic acid;1,3-difluorobutane (CID 87178365) is carbonic acid;1,3-difluorobutane.
What is the SMILES notation for carbonic acid;1,3-difluorobutane?
The canonical SMILES for carbonic acid;1,3-difluorobutane is CC(F)CCF.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;1,3-difluorobutane?
The InChIKey is IJKQLIMBJYMYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2.2CH2O3/c1-4(6)2-3-5;2*2-1(3)4/h4H,2-3H2,1H3;2*(H2,2,3,4).
What are the key properties of carbonic acid;1,3-difluorobutane?
carbonic acid;1,3-difluorobutane has a molecular weight of 218.15 g/mol, XLogP of 2.15, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1,3-difluorobutane is sourced from PubChem (CID 87178365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).