methane;2-prop-2-enylbutanedioic acid;hydrofluoride

C8H15FO4 — CID 174751043

IUPACmethane;2-prop-2-enylbutanedioic acid;hydrofluoride
SMILESC.C=CCC(CC(=O)O)C(=O)O.F
InChIInChI=1S/C7H10O4.CH4.FH/c1-2-3-5(7(10)11)4-6(8)9;;/h2,5H,1,3-4H2,(H,8,9)(H,10,11);1H4;1H
InChIKeyYTJZOUHFUMISSS-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.53
Rot. Bonds5

About methane;2-prop-2-enylbutanedioic acid;hydrofluoride

methane;2-prop-2-enylbutanedioic acid;hydrofluoride (PubChem CID 174751043) has the molecular formula C8H15FO4 and a molecular weight of 194.20 g/mol. Its IUPAC name is methane;2-prop-2-enylbutanedioic acid;hydrofluoride.

Molecular Properties

Compound Namemethane;2-prop-2-enylbutanedioic acid;hydrofluoride
PubChem CID174751043
Molecular FormulaC8H15FO4
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Namemethane;2-prop-2-enylbutanedioic acid;hydrofluoride
SMILESC.C=CCC(CC(=O)O)C(=O)O.F
InChIInChI=1S/C7H10O4.CH4.FH/c1-2-3-5(7(10)11)4-6(8)9;;/h2,5H,1,3-4H2,(H,8,9)(H,10,11);1H4;1H
InChIKeyYTJZOUHFUMISSS-UHFFFAOYSA-N
XLogP1.53
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methane;2-prop-2-enylbutanedioic acid;hydrofluoride 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

azane;2-hexa-2,5-dienylbutanedioic acid
CID 175554950
hydroperoxyethene;2-(3-hydroperoxyprop-2-enyl)butanedioic acid
CID 91279772
(E)-hex-4-ene-1,2,6-tricarboxylic acid
CID 19864714
3-aminohex-5-enoic acid
CID 22142027
3-(2-prop-2-enylpent-4-enoylamino)butanoic acid
CID 119347682
trisodium;hydride;propane-1,2,3-tricarboxylic acid
CID 173014092
trisodium;hydride;propane-1,2,3-tricarboxylic acid;hydrate
CID 173458635
2-prop-2-enyldodec-11-enoic acid
CID 88827199
2-prop-2-enyldec-9-enoic acid
CID 90413259
2-prop-2-enyloctadecanoic acid
CID 54468209
(2S)-2-ethylbutanedioic acid
CID 6997245
2-prop-2-enylpent-4-enethioic S-acid
CID 88624358

Frequently Asked Questions

What is the IUPAC name of methane;2-prop-2-enylbutanedioic acid;hydrofluoride?
The IUPAC name of methane;2-prop-2-enylbutanedioic acid;hydrofluoride (CID 174751043) is methane;2-prop-2-enylbutanedioic acid;hydrofluoride.
What is the SMILES notation for methane;2-prop-2-enylbutanedioic acid;hydrofluoride?
The canonical SMILES for methane;2-prop-2-enylbutanedioic acid;hydrofluoride is C.C=CCC(CC(=O)O)C(=O)O.F.
What is the InChIKey of methane;2-prop-2-enylbutanedioic acid;hydrofluoride?
The InChIKey is YTJZOUHFUMISSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4.CH4.FH/c1-2-3-5(7(10)11)4-6(8)9;;/h2,5H,1,3-4H2,(H,8,9)(H,10,11);1H4;1H.
What are the key properties of methane;2-prop-2-enylbutanedioic acid;hydrofluoride?
methane;2-prop-2-enylbutanedioic acid;hydrofluoride has a molecular weight of 194.20 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-prop-2-enylbutanedioic acid;hydrofluoride is sourced from PubChem (CID 174751043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).