butanoic acid;heptahydrofluoride

C4H15F7O2 — CID 172757824

IUPACbutanoic acid;heptahydrofluoride
SMILESCCCC(=O)O.F.F.F.F.F.F.F
InChIInChI=1S/C4H8O2.7FH/c1-2-3-4(5)6;;;;;;;/h2-3H2,1H3,(H,5,6);7*1H
InChIKeyLGRPXTJFAOSVDV-UHFFFAOYSA-N
MW228.15 g/mol
LogP1.94
Rot. Bonds2

About butanoic acid;heptahydrofluoride

butanoic acid;heptahydrofluoride (PubChem CID 172757824) has the molecular formula C4H15F7O2 and a molecular weight of 228.15 g/mol. Its IUPAC name is butanoic acid;heptahydrofluoride.

Molecular Properties

Compound Namebutanoic acid;heptahydrofluoride
PubChem CID172757824
Molecular FormulaC4H15F7O2
Molecular Weight228.15 g/mol
Exact Mass228.10
IUPAC Namebutanoic acid;heptahydrofluoride
SMILESCCCC(=O)O.F.F.F.F.F.F.F
InChIInChI=1S/C4H8O2.7FH/c1-2-3-4(5)6;;;;;;;/h2-3H2,1H3,(H,5,6);7*1H
InChIKeyLGRPXTJFAOSVDV-UHFFFAOYSA-N
XLogP1.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.15
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze butanoic acid;heptahydrofluoride with MolForge

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

Launch Full Analysis

Related Compounds

butanoic acid;zirconium
CID 87090666
butanoic acid;mercury
CID 87059277
dialuminum;butanoic acid
CID 175897781
CID 87408506
CID 87408506
butanoic acid;copper
CID 57425269
butanoic acid;dihydrochloride
CID 173423767
butanoic acid;praseodymium
CID 88777452
azane;butanoic acid
CID 175057491
CID 88693438
CID 88693438
azane;butanoic acid
CID 173280540
CID 87208956
CID 87208956
acetic acid;butanoic acid
CID 158263120

Frequently Asked Questions

What is the IUPAC name of butanoic acid;heptahydrofluoride?
The IUPAC name of butanoic acid;heptahydrofluoride (CID 172757824) is butanoic acid;heptahydrofluoride.
What is the SMILES notation for butanoic acid;heptahydrofluoride?
The canonical SMILES for butanoic acid;heptahydrofluoride is CCCC(=O)O.F.F.F.F.F.F.F.
What is the InChIKey of butanoic acid;heptahydrofluoride?
The InChIKey is LGRPXTJFAOSVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.7FH/c1-2-3-4(5)6;;;;;;;/h2-3H2,1H3,(H,5,6);7*1H.
What are the key properties of butanoic acid;heptahydrofluoride?
butanoic acid;heptahydrofluoride has a molecular weight of 228.15 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;heptahydrofluoride is sourced from PubChem (CID 172757824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).