butanedioic acid;fluoroform

C5H7F3O4 — CID 159416748

IUPACbutanedioic acid;fluoroform
SMILESFC(F)F.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.CHF3/c5-3(6)1-2-4(7)8;2-1(3)4/h1-2H2,(H,5,6)(H,7,8);1H
InChIKeyLPGIABHTYKIQSE-UHFFFAOYSA-N
MW188.10 g/mol
LogP1.11
Rot. Bonds3

About butanedioic acid;fluoroform

butanedioic acid;fluoroform (PubChem CID 159416748) has the molecular formula C5H7F3O4 and a molecular weight of 188.10 g/mol. Its IUPAC name is butanedioic acid;fluoroform.

Molecular Properties

Compound Namebutanedioic acid;fluoroform
PubChem CID159416748
Molecular FormulaC5H7F3O4
Molecular Weight188.10 g/mol
Exact Mass188.03
IUPAC Namebutanedioic acid;fluoroform
SMILESFC(F)F.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.CHF3/c5-3(6)1-2-4(7)8;2-1(3)4/h1-2H2,(H,5,6)(H,7,8);1H
InChIKeyLPGIABHTYKIQSE-UHFFFAOYSA-N
XLogP1.11
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.10
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

butanedioic acid;difluoromethane
CID 159584710
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
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;butanedioic acid;methanol
CID 131741728

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;fluoroform?
The IUPAC name of butanedioic acid;fluoroform (CID 159416748) is butanedioic acid;fluoroform.
What is the SMILES notation for butanedioic acid;fluoroform?
The canonical SMILES for butanedioic acid;fluoroform is FC(F)F.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;fluoroform?
The InChIKey is LPGIABHTYKIQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.CHF3/c5-3(6)1-2-4(7)8;2-1(3)4/h1-2H2,(H,5,6)(H,7,8);1H.
What are the key properties of butanedioic acid;fluoroform?
butanedioic acid;fluoroform has a molecular weight of 188.10 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;fluoroform is sourced from PubChem (CID 159416748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).