butanedioic acid;difluoromethane

C5H8F2O4 — CID 159584710

IUPACbutanedioic acid;difluoromethane
SMILESFCF.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.CH2F2/c5-3(6)1-2-4(7)8;2-1-3/h1-2H2,(H,5,6)(H,7,8);1H2
InChIKeyMJLUFBXSFLKMOT-UHFFFAOYSA-N
MW170.11 g/mol
LogP0.82
Rot. Bonds3

About butanedioic acid;difluoromethane

butanedioic acid;difluoromethane (PubChem CID 159584710) has the molecular formula C5H8F2O4 and a molecular weight of 170.11 g/mol. Its IUPAC name is butanedioic acid;difluoromethane.

Molecular Properties

Compound Namebutanedioic acid;difluoromethane
PubChem CID159584710
Molecular FormulaC5H8F2O4
Molecular Weight170.11 g/mol
Exact Mass170.04
IUPAC Namebutanedioic acid;difluoromethane
SMILESFCF.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.CH2F2/c5-3(6)1-2-4(7)8;2-1-3/h1-2H2,(H,5,6)(H,7,8);1H2
InChIKeyMJLUFBXSFLKMOT-UHFFFAOYSA-N
XLogP0.82
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.11
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis(butanedioic acid);carbonic acid
CID 159577506
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);silane
CID 173419629
trisodium;butanedioic acid
CID 175698490
azane;butanedioic acid
CID 87070561
butanedioic acid;fluoroform
CID 159416748
bis(butanedioic acid);hydroxylamine
CID 174855273
azane;butanedioic acid;dihydrate
CID 141112137
butanedioic acid;ethene
CID 87532899
butanedioic acid;zinc;dihydrate
CID 175420905
butanedioic acid;zinc;dihydrate
CID 175091968
azane;bis(butanedioic acid);ethane-1,2-diamine
CID 173216605

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;difluoromethane?
The IUPAC name of butanedioic acid;difluoromethane (CID 159584710) is butanedioic acid;difluoromethane.
What is the SMILES notation for butanedioic acid;difluoromethane?
The canonical SMILES for butanedioic acid;difluoromethane is FCF.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;difluoromethane?
The InChIKey is MJLUFBXSFLKMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.CH2F2/c5-3(6)1-2-4(7)8;2-1-3/h1-2H2,(H,5,6)(H,7,8);1H2.
What are the key properties of butanedioic acid;difluoromethane?
butanedioic acid;difluoromethane has a molecular weight of 170.11 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;difluoromethane is sourced from PubChem (CID 159584710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).